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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.18
Van der Waals volume 376.32
Polar Surface Area 155.14
Van der Waals Surface Area 566.82
Refractivity 117.67

Top
ELEMENTAL PROPERTIESExact Mass 446.121
Isotope Formula C22H22O10
Dot Disconnected Formula C22H22O10
Dot Disconnected Isotope Formula C22H22O10
Composition C (59.19%), H (4.97%), O (35.84%)
Isotope Composition C (59.19%), H (4.97%), O (35.84%)
Donor Sites 5
Donor Count 5
Acceptor Sites 10
Acceptor Count 9


Top
TOPOLOGICAL PROPERTIESAtom Count54
Aliphatic Atom Count 16
Aliphatic Bond Count 18
Aromatic Bond Count 17
Asymmetric Atom Count 5
Bond Count 57
Chain Atom Count 10
Chain Bond Count 12
Chiral Center Count 5
Ring Atom Count 22
Ring Bond Count 23
Rotatable Bond Count 5
Stereo Double Bond Count 0
Aliphatic Ring Count 1
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 2
Heteroaliphatic Ring Count 1
Heteroaromatic Ring Count 1
Largest Ring Size 6
Largest Ring System Size 2
Ring Count 4
Smallest Ring Size 6
Smallest Ring System Size 1

 






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