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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 2.82
Van der Waals volume 463.23
Polar Surface Area 116.59
Van der Waals Surface Area 744.61
Refractivity 127.56

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ELEMENTAL PROPERTIESExact Mass 488.277
Isotope Formula C28H40O7
Dot Disconnected Formula C28H40O7
Dot Disconnected Isotope Formula C28H40O7
Composition C (68.83%), H (8.25%), O (22.92%)
Isotope Composition C (68.83%), H (8.25%), O (22.92%)
Donor Sites 3
Donor Count 3
Acceptor Sites 8
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count75
Aliphatic Atom Count 35
Aliphatic Bond Count 40
Aromatic Bond Count 0
Asymmetric Atom Count 13
Bond Count 80
Chain Atom Count 11
Chain Bond Count 12
Chiral Center Count 13
Ring Atom Count 24
Ring Bond Count 28
Rotatable Bond Count 2
Stereo Double Bond Count 0
Aliphatic Ring Count 6
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 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 6
Smallest Ring Size 3
Smallest Ring System Size 1

 






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