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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.04
Van der Waals volume 498.63
Polar Surface Area 132.13
Van der Waals Surface Area 786.76
Refractivity 143.46

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ELEMENTAL PROPERTIESExact Mass 514.293
Isotope Formula C30H42O7
Dot Disconnected Formula C30H42O7
Dot Disconnected Isotope Formula C30H42O7
Composition C (70.01%), H (8.23%), O (21.76%)
Isotope Composition C (70.01%), H (8.23%), O (21.76%)
Donor Sites 4
Donor Count 4
Acceptor Sites 10
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count79
Aliphatic Atom Count 37
Aliphatic Bond Count 40
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 82
Chain Atom Count 20
Chain Bond Count 20
Chiral Center Count 8
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 4
Stereo Double Bond Count 1
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.