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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.12
Van der Waals volume 479.28
Polar Surface Area 40.46
Van der Waals Surface Area 805.02
Refractivity 133.68

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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 2
Donor Count 2
Acceptor Sites 2
Acceptor Count 2


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TOPOLOGICAL PROPERTIESAtom Count82
Aliphatic Atom Count 32
Aliphatic Bond Count 36
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 86
Chain Atom Count 10
Chain Bond Count 10
Chiral Center Count 8
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.