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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.07
Van der Waals volume 502.58
Polar Surface Area 165.26
Van der Waals Surface Area 711.25
Refractivity 137.21

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ELEMENTAL PROPERTIESExact Mass 574.241
Isotope Formula C30H38O11
Dot Disconnected Formula C30H38O11
Dot Disconnected Isotope Formula C30H38O11
Composition C (62.71%), H (6.67%), O (30.63%)
Isotope Composition C (62.71%), H (6.67%), O (30.63%)
Donor Sites 3
Donor Count 3
Acceptor Sites 11
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count79
Aliphatic Atom Count 36
Aliphatic Bond Count 42
Aromatic Bond Count 5
Asymmetric Atom Count 14
Bond Count 85
Chain Atom Count 15
Chain Bond Count 16
Chiral Center Count 14
Ring Atom Count 26
Ring Bond Count 31
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 1
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 6
Fused Aromatic Ring Count 0
Fused Ring Count 6
Hetero Ring Count 3
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 7
Smallest Ring Size 3
Smallest Ring System Size 1

 






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