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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.49
Van der Waals volume 527.29
Polar Surface Area 100.9
Van der Waals Surface Area 830.45
Refractivity 150.91

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ELEMENTAL PROPERTIESExact Mass 526.329
Isotope Formula C32H46O6
Dot Disconnected Formula C32H46O6
Dot Disconnected Isotope Formula C32H46O6
Composition C (72.97%), H (8.8%), O (18.23%)
Isotope Composition C (72.97%), H (8.8%), O (18.23%)
Donor Sites 2
Donor Count 2
Acceptor Sites 9
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count84
Aliphatic Atom Count 38
Aliphatic Bond Count 40
Aromatic Bond Count 0
Asymmetric Atom Count 6
Bond Count 86
Chain Atom Count 24
Chain Bond Count 25
Chiral Center Count 6
Ring Atom Count 14
Ring Bond Count 15
Rotatable Bond Count 11
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 2
Carboaliphatic Ring Count 2
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 3
Smallest Ring Size 4
Smallest Ring System Size 1

 






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