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

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.7
Van der Waals volume 442.2
Polar Surface Area 74.6
Van der Waals Surface Area 728.71
Refractivity 123.24

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ELEMENTAL PROPERTIESExact Mass 430.308
Isotope Formula C27H42O4
Dot Disconnected Formula C27H42O4
Dot Disconnected Isotope Formula C27H42O4
Composition C (75.31%), H (9.83%), O (14.86%)
Isotope Composition C (75.31%), H (9.83%), O (14.86%)
Donor Sites 2
Donor Count 2
Acceptor Sites 6
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count73
Aliphatic Atom Count 31
Aliphatic Bond Count 34
Aromatic Bond Count 0
Asymmetric Atom Count 9
Bond Count 76
Chain Atom Count 14
Chain Bond Count 14
Chiral Center Count 9
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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