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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP -0.44
Van der Waals volume 509.79
Polar Surface Area 234.29
Van der Waals Surface Area 775.85
Refractivity 142.39

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ELEMENTAL PROPERTIESExact Mass 608.174
Isotope Formula C28H32O15
Dot Disconnected Formula C28H32O15
Dot Disconnected Isotope Formula C28H32O15
Composition C (55.26%), H (5.3%), O (39.44%)
Isotope Composition C (55.26%), H (5.3%), O (39.44%)
Donor Sites 8
Donor Count 8
Acceptor Sites 16
Acceptor Count 15


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TOPOLOGICAL PROPERTIESAtom Count75
Aliphatic Atom Count 27
Aliphatic Bond Count 30
Aromatic Bond Count 17
Asymmetric Atom Count 10
Bond Count 79
Chain Atom Count 15
Chain Bond Count 18
Chiral Center Count 10
Ring Atom Count 28
Ring Bond Count 29
Rotatable Bond Count 7
Stereo Double Bond Count 0
Aliphatic Ring Count 2
Aromatic Ring Count 3
Carbo Ring Count 2
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 2
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 2
Fused Ring Count 2
Hetero Ring Count 3
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 5
Smallest Ring Size 6
Smallest Ring System Size 1

 






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