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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 0.16
Van der Waals volume 246.54
Polar Surface Area 62.16
Van der Waals Surface Area 375.06
Refractivity 76.18

 Top
ELEMENTAL PROPERTIESExact Mass 287.116
Isotope Formula C16H17NO4
Dot Disconnected Formula C16H17NO4
Dot Disconnected Isotope Formula C16H17NO4
Composition C (66.89%), H (5.96%), N (4.88%), O (22.27%)
Isotope Composition C (66.89%), H (5.96%), N (4.88%), O (22.27%)
Donor Sites 2
Donor Count 2
Acceptor Sites 5
Acceptor Count 5


Top
TOPOLOGICAL PROPERTIESAtom Count38
Aliphatic Atom Count 15
Aliphatic Bond Count 19
Aromatic Bond Count 6
Asymmetric Atom Count 5
Bond Count 42
Chain Atom Count 2
Chain Bond Count 2
Chiral Center Count 5
Ring Atom Count 19
Ring Bond Count 23
Rotatable Bond Count 0
Stereo Double Bond Count 0
Aliphatic Ring Count 4
Aromatic Ring Count 1
Carbo Ring Count 2
Carboaliphatic Ring Count 1
Carboaromatic Ring Count 1
Fused Aliphatic Ring Count 3
Fused Aromatic Ring Count 0
Fused Ring Count 5
Hetero Ring Count 3
Heteroaliphatic Ring Count 3
Heteroaromatic Ring Count 0
Largest Ring Size 6
Largest Ring System Size 5
Ring Count 5
Smallest Ring Size 5
Smallest Ring System Size 5

 






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