NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.43
Van der Waals volume 454.84
Polar Surface Area 96.36
Van der Waals Surface Area 735.94
Refractivity 126.26

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ELEMENTAL PROPERTIESExact Mass 472.283
Isotope Formula C28H40O6
Dot Disconnected Formula C28H40O6
Dot Disconnected Isotope Formula C28H40O6
Composition C (71.16%), H (8.53%), O (20.31%)
Isotope Composition C (71.16%), H (8.53%), O (20.31%)
Donor Sites 2
Donor Count 2
Acceptor Sites 7
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count74
Aliphatic Atom Count 34
Aliphatic Bond Count 39
Aromatic Bond Count 0
Asymmetric Atom Count 11
Bond Count 79
Chain Atom Count 10
Chain Bond Count 11
Chiral Center Count 11
Ring Atom Count 24
Ring Bond Count 28
Rotatable Bond Count 3
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.