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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.25
Van der Waals volume 481.46
Polar Surface Area 97.99
Van der Waals Surface Area 768.12
Refractivity 132.23

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ELEMENTAL PROPERTIESExact Mass 474.335
Isotope Formula C29H46O5
Dot Disconnected Formula C29H46O5
Dot Disconnected Isotope Formula C29H46O5
Composition C (73.38%), H (9.77%), O (16.85%)
Isotope Composition C (73.38%), H (9.77%), O (16.85%)
Donor Sites 4
Donor Count 4
Acceptor Sites 6
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count80
Aliphatic Atom Count 34
Aliphatic Bond Count 38
Aromatic Bond Count 0
Asymmetric Atom Count 12
Bond Count 84
Chain Atom Count 12
Chain Bond Count 12
Chiral Center Count 12
Ring Atom Count 22
Ring Bond Count 26
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 5

 






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