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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 6.52
Van der Waals volume 419.38
Polar Surface Area 68.15
Van der Waals Surface Area 642.96
Refractivity 140.09

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ELEMENTAL PROPERTIESExact Mass 436.225
Isotope Formula C27H32O5
Dot Disconnected Formula C27H32O5
Dot Disconnected Isotope Formula C27H32O5
Composition C (74.29%), H (7.39%), O (18.33%)
Isotope Composition C (74.29%), H (7.39%), O (18.33%)
Donor Sites 2
Donor Count 2
Acceptor Sites 4
Acceptor Count 4


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TOPOLOGICAL PROPERTIESAtom Count64
Aliphatic Atom Count 20
Aliphatic Bond Count 22
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 66
Chain Atom Count 18
Chain Bond Count 18
Chiral Center Count 0
Ring Atom Count 14
Ring Bond Count 16
Rotatable Bond Count 7
Stereo Double Bond Count 1
Aliphatic Ring Count 1
Aromatic Ring Count 2
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 3
Hetero Ring Count 1
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 3
Ring Count 3
Smallest Ring Size 6
Smallest Ring System Size 3

 






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