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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.22
Van der Waals volume 159.02
Polar Surface Area 80.73
Van der Waals Surface Area 267.13
Refractivity 49.57

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ELEMENTAL PROPERTIESExact Mass 177.028
Isotope Formula C6H11NOS2
Dot Disconnected Formula C6H11NOS2
Dot Disconnected Isotope Formula C6H11NOS2
Composition C (40.65%), H (6.25%), N (7.9%), O (9.02%), S (36.17%)
Isotope Composition C (40.65%), H (6.25%), N (7.9%), O (9.02%), S (36.17%)
Donor Sites 0
Donor Count 0
Acceptor Sites 3
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count21
Aliphatic Atom Count 10
Aliphatic Bond Count 9
Aromatic Bond Count 0
Asymmetric Atom Count 1
Bond Count 20
Chain Atom Count 10
Chain Bond Count 9
Chiral Center Count 1
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 0
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 0
Largest Ring System Size 0
Ring Count 0
Smallest Ring Size 0
Smallest Ring System Size 0

 






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