NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
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CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 1.83
Van der Waals volume 734.46
Polar Surface Area 196.99
Van der Waals Surface Area 1187.88
Refractivity 193.65

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ELEMENTAL PROPERTIESExact Mass 768.466
Isotope Formula C41H68O13
Dot Disconnected Formula C41H68O13
Dot Disconnected Isotope Formula C41H68O13
Composition C (64.04%), H (8.91%), O (27.05%)
Isotope Composition C (64.04%), H (8.91%), O (27.05%)
Donor Sites 7
Donor Count 7
Acceptor Sites 13
Acceptor Count 13


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TOPOLOGICAL PROPERTIESAtom Count122
Aliphatic Atom Count 54
Aliphatic Bond Count 61
Aromatic Bond Count 0
Asymmetric Atom Count 22
Bond Count 129
Chain Atom Count 17
Chain Bond Count 19
Chiral Center Count 22
Ring Atom Count 37
Ring Bond Count 42
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 8
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 4
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 8
Smallest Ring Size 5
Smallest Ring System Size 1

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.