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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -0.38
Van der Waals volume 1117.53
Polar Surface Area 604.62
Van der Waals Surface Area 1671.93
Refractivity 317.36

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ELEMENTAL PROPERTIESExact Mass 1375.3
Isotope Formula C60H63O37
Dot Disconnected Formula C60H63O37
Dot Disconnected Isotope Formula C60H63O37
Composition C (52.37%), H (4.61%), O (43.02%)
Isotope Composition C (52.37%), H (4.61%), O (43.02%)
Donor Sites 20
Donor Count 20
Acceptor Sites 38
Acceptor Count 33


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TOPOLOGICAL PROPERTIESAtom Count160
Aliphatic Atom Count 69
Aliphatic Bond Count 76
Aromatic Bond Count 29
Asymmetric Atom Count 20
Bond Count 168
Chain Atom Count 45
Chain Bond Count 52
Chiral Center Count 20
Ring Atom Count 52
Ring Bond Count 53
Rotatable Bond Count 25
Stereo Double Bond Count 2
Aliphatic Ring Count 4
Aromatic Ring Count 5
Carbo Ring Count 4
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 4
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 5
Heteroaliphatic Ring Count 4
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 9
Smallest Ring Size 6
Smallest Ring System Size 1

 






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