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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.36
Van der Waals volume 463.16
Polar Surface Area 88.51
Van der Waals Surface Area 740.09
Refractivity 131.3

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ELEMENTAL PROPERTIESExact Mass 468.288
Isotope Formula C29H40O5
Dot Disconnected Formula C29H40O5
Dot Disconnected Isotope Formula C29H40O5
Composition C (74.33%), H (8.6%), O (17.07%)
Isotope Composition C (74.33%), H (8.6%), O (17.07%)
Donor Sites 1
Donor Count 1
Acceptor Sites 9
Acceptor Count 5


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TOPOLOGICAL PROPERTIESAtom Count74
Aliphatic Atom Count 34
Aliphatic Bond Count 37
Aromatic Bond Count 0
Asymmetric Atom Count 8
Bond Count 77
Chain Atom Count 17
Chain Bond Count 17
Chiral Center Count 8
Ring Atom Count 17
Ring Bond Count 20
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 0
Carbo Ring Count 4
Carboaliphatic Ring Count 4
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 4
Fused Aromatic Ring Count 0
Fused Ring Count 4
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 4
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 4

 






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