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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 3.35
Van der Waals volume 357.67
Polar Surface Area 83.45
Van der Waals Surface Area 563.07
Refractivity 111.86

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ELEMENTAL PROPERTIESExact Mass 410.137
Isotope Formula C23H22O7
Dot Disconnected Formula C23H22O7
Dot Disconnected Isotope Formula C23H22O7
Composition C (67.31%), H (5.4%), O (27.29%)
Isotope Composition C (67.31%), H (5.4%), O (27.29%)
Donor Sites 1
Donor Count 1
Acceptor Sites 8
Acceptor Count 7


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TOPOLOGICAL PROPERTIESAtom Count52
Aliphatic Atom Count 18
Aliphatic Bond Count 21
Aromatic Bond Count 12
Asymmetric Atom Count 0
Bond Count 55
Chain Atom Count 11
Chain Bond Count 12
Chiral Center Count 0
Ring Atom Count 19
Ring Bond Count 21
Rotatable Bond Count 5
Stereo Double Bond Count 1
Aliphatic Ring Count 2
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 4
Hetero Ring Count 2
Heteroaliphatic Ring Count 2
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 5
Smallest Ring System Size 2

 






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