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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.89
Van der Waals volume 504.88
Polar Surface Area 94.45
Van der Waals Surface Area 825.35
Refractivity 137.75

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ELEMENTAL PROPERTIESExact Mass 518.324
Isotope Formula C30H46O7
Dot Disconnected Formula C30H46O7
Dot Disconnected Isotope Formula C30H46O7
Composition C (69.47%), H (8.94%), O (21.59%)
Isotope Composition C (69.47%), H (8.94%), O (21.59%)
Donor Sites 2
Donor Count 2
Acceptor Sites 7
Acceptor Count 6


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TOPOLOGICAL PROPERTIESAtom Count83
Aliphatic Atom Count 37
Aliphatic Bond Count 42
Aromatic Bond Count 0
Asymmetric Atom Count 12
Bond Count 88
Chain Atom Count 9
Chain Bond Count 11
Chiral Center Count 12
Ring Atom Count 28
Ring Bond Count 31
Rotatable Bond Count 4
Stereo Double Bond Count 0
Aliphatic Ring Count 6
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 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 1

 






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