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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.84
Van der Waals volume 302.5
Polar Surface Area 17.07
Van der Waals Surface Area 439.8
Refractivity 94.2

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ELEMENTAL PROPERTIESExact Mass 294.198
Isotope Formula C21H26O
Dot Disconnected Formula C21H26O
Dot Disconnected Isotope Formula C21H26O
Composition C (85.67%), H (8.9%), O (5.43%)
Isotope Composition C (85.67%), H (8.9%), O (5.43%)
Donor Sites 0
Donor Count 0
Acceptor Sites 2
Acceptor Count 1


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TOPOLOGICAL PROPERTIESAtom Count48
Aliphatic Atom Count 22
Aliphatic Bond Count 24
Aromatic Bond Count 0
Asymmetric Atom Count 4
Bond Count 50
Chain Atom Count 8
Chain Bond Count 8
Chiral Center Count 4
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 1
Stereo Double Bond Count 0
Aliphatic Ring Count 3
Aromatic Ring Count 0
Carbo Ring Count 3
Carboaliphatic Ring Count 3
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 2
Fused Aromatic Ring Count 0
Fused Ring Count 2
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 5
Smallest Ring System Size 3

 






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