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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.51
Van der Waals volume 478.07
Polar Surface Area 46.53
Van der Waals Surface Area 665.59
Refractivity 130.72

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ELEMENTAL PROPERTIESExact Mass 456.36
Isotope Formula C30H48O3
Dot Disconnected Formula C30H48O3
Dot Disconnected Isotope Formula C30H48O3
Composition C (78.9%), H (10.59%), O (10.51%)
Isotope Composition C (78.9%), H (10.59%), O (10.51%)
Donor Sites 1
Donor Count 1
Acceptor Sites 3
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count81
Aliphatic Atom Count 33
Aliphatic Bond Count 38
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 86
Chain Atom Count 9
Chain Bond Count 9
Chiral Center Count 10
Ring Atom Count 24
Ring Bond Count 29
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 6
Fused Aromatic Ring Count 0
Fused Ring Count 6
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 6

 






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