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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.01
Van der Waals volume 574.77
Polar Surface Area 130.61
Van der Waals Surface Area 893.2
Refractivity 176.73

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ELEMENTAL PROPERTIESExact Mass 610.293
Isotope Formula C38H42O7
Dot Disconnected Formula C38H42O7
Dot Disconnected Isotope Formula C38H42O7
Composition C (74.73%), H (6.93%), O (18.34%)
Isotope Composition C (74.73%), H (6.93%), O (18.34%)
Donor Sites 6
Donor Count 6
Acceptor Sites 7
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count87
Aliphatic Atom Count 21
Aliphatic Bond Count 25
Aromatic Bond Count 24
Asymmetric Atom Count 6
Bond Count 91
Chain Atom Count 15
Chain Bond Count 19
Chiral Center Count 6
Ring Atom Count 30
Ring Bond Count 30
Rotatable Bond Count 12
Stereo Double Bond Count 1
Aliphatic Ring Count 1
Aromatic Ring Count 4
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 1
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 1

 






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