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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.85
Van der Waals volume 497.97
Polar Surface Area 77.76
Van der Waals Surface Area 817.98
Refractivity 134.21

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ELEMENTAL PROPERTIESExact Mass 474.371
Isotope Formula C30H50O4
Dot Disconnected Formula C30H50O4
Dot Disconnected Isotope Formula C30H50O4
Composition C (75.9%), H (10.62%), O (13.48%)
Isotope Composition C (75.9%), H (10.62%), O (13.48%)
Donor Sites 3
Donor Count 3
Acceptor Sites 5
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count84
Aliphatic Atom Count 34
Aliphatic Bond Count 38
Aromatic Bond Count 0
Asymmetric Atom Count 11
Bond Count 88
Chain Atom Count 12
Chain Bond Count 12
Chiral Center Count 11
Ring Atom Count 22
Ring Bond Count 26
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 5
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 5
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 5

 






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