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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 4.46
Van der Waals volume 445.59
Polar Surface Area 159.82
Van der Waals Surface Area 682.47
Refractivity 129.99

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ELEMENTAL PROPERTIESExact Mass 512.168
Isotope Formula C27H28O10
Dot Disconnected Formula C27H28O10
Dot Disconnected Isotope Formula C27H28O10
Composition C (63.28%), H (5.51%), O (31.22%)
Isotope Composition C (63.28%), H (5.51%), O (31.22%)
Donor Sites 4
Donor Count 4
Acceptor Sites 11
Acceptor Count 8


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TOPOLOGICAL PROPERTIESAtom Count65
Aliphatic Atom Count 25
Aliphatic Bond Count 28
Aromatic Bond Count 12
Asymmetric Atom Count 6
Bond Count 68
Chain Atom Count 17
Chain Bond Count 18
Chiral Center Count 6
Ring Atom Count 20
Ring Bond Count 22
Rotatable Bond Count 6
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 2
Carbo Ring Count 3
Carboaliphatic Ring Count 1
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 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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