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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 10.35
Van der Waals volume 692.31
Polar Surface Area 102.29
Van der Waals Surface Area 1192.6
Refractivity 185.98

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ELEMENTAL PROPERTIESExact Mass 650.512
Isotope Formula C39H70O7
Dot Disconnected Formula C39H70O7
Dot Disconnected Isotope Formula C39H70O7
Composition C (71.96%), H (10.84%), O (17.2%)
Isotope Composition C (71.96%), H (10.84%), O (17.2%)
Donor Sites 2
Donor Count 2
Acceptor Sites 7
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count116
Aliphatic Atom Count 46
Aliphatic Bond Count 47
Aromatic Bond Count 0
Asymmetric Atom Count 6
Bond Count 117
Chain Atom Count 36
Chain Bond Count 37
Chiral Center Count 6
Ring Atom Count 10
Ring Bond Count 10
Rotatable Bond Count 30
Stereo Double Bond Count 0
Aliphatic Ring Count 2
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 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 5
Largest Ring System Size 1
Ring Count 2
Smallest Ring Size 5
Smallest Ring System Size 1

 






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