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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.54
Van der Waals volume 476.15
Polar Surface Area 29.46
Van der Waals Surface Area 806.94
Refractivity 130.76

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ELEMENTAL PROPERTIESExact Mass 442.381
Isotope Formula C30H50O2
Dot Disconnected Formula C30H50O2
Dot Disconnected Isotope Formula C30H50O2
Composition C (81.39%), H (11.38%), O (7.23%)
Isotope Composition C (81.39%), H (11.38%), O (7.23%)
Donor Sites 1
Donor Count 1
Acceptor Sites 2
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count82
Aliphatic Atom Count 32
Aliphatic Bond Count 37
Aromatic Bond Count 0
Asymmetric Atom Count 10
Bond Count 87
Chain Atom Count 8
Chain Bond Count 8
Chiral Center Count 10
Ring Atom Count 24
Ring Bond Count 29
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 6
Aromatic Ring Count 0
Carbo Ring Count 5
Carboaliphatic Ring Count 5
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 6
Fused Aromatic Ring Count 0
Fused Ring Count 6
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 6
Ring Count 6
Smallest Ring Size 5
Smallest Ring System Size 6

 






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