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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.56
Van der Waals volume 568.55
Polar Surface Area 117.84
Van der Waals Surface Area 932.98
Refractivity 151.83

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ELEMENTAL PROPERTIESExact Mass 578.382
Isotope Formula C33H54O8
Dot Disconnected Formula C33H54O8
Dot Disconnected Isotope Formula C33H54O8
Composition C (68.48%), H (9.4%), O (22.11%)
Isotope Composition C (68.48%), H (9.4%), O (22.11%)
Donor Sites 4
Donor Count 4
Acceptor Sites 8
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count95
Aliphatic Atom Count 41
Aliphatic Bond Count 47
Aromatic Bond Count 0
Asymmetric Atom Count 17
Bond Count 101
Chain Atom Count 10
Chain Bond Count 11
Chiral Center Count 17
Ring Atom Count 31
Ring Bond Count 36
Rotatable Bond Count 3
Stereo Double Bond Count 0
Aliphatic Ring Count 7
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 7
Smallest Ring Size 5
Smallest Ring System Size 1

 






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