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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 7.73
Van der Waals volume 454.23
Polar Surface Area 77.76
Van der Waals Surface Area 697.35
Refractivity 144.34

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ELEMENTAL PROPERTIESExact Mass 460.261
Isotope Formula C30H36O4
Dot Disconnected Formula C30H36O4
Dot Disconnected Isotope Formula C30H36O4
Composition C (78.23%), H (7.88%), O (13.89%)
Isotope Composition C (78.23%), H (7.88%), O (13.89%)
Donor Sites 3
Donor Count 3
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count70
Aliphatic Atom Count 24
Aliphatic Bond Count 25
Aromatic Bond Count 11
Asymmetric Atom Count 0
Bond Count 72
Chain Atom Count 20
Chain Bond Count 20
Chiral Center Count 0
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 3
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 3
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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