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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.59
Van der Waals volume 443.47
Polar Surface Area 63.6
Van der Waals Surface Area 734.36
Refractivity 121.07

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ELEMENTAL PROPERTIESExact Mass 430.308
Isotope Formula C27H42O4
Dot Disconnected Formula C27H42O4
Dot Disconnected Isotope Formula C27H42O4
Composition C (75.31%), H (9.83%), O (14.86%)
Isotope Composition C (75.31%), H (9.83%), O (14.86%)
Donor Sites 1
Donor Count 1
Acceptor Sites 5
Acceptor Count 3


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TOPOLOGICAL PROPERTIESAtom Count73
Aliphatic Atom Count 31
Aliphatic Bond Count 34
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 76
Chain Atom Count 13
Chain Bond Count 14
Chiral Center Count 8
Ring Atom Count 18
Ring Bond Count 20
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 1

 






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