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

CALCULATED PROPERTIES*

Physical   Elemental   Topological  

PHYSICAL PROPERTIESLogP 5.45
Van der Waals volume 267.14
Polar Surface Area 20.23
Van der Waals Surface Area 415.11
Refractivity 81.26

 Top
ELEMENTAL PROPERTIESExact Mass 244.183
Isotope Formula C17H24O
Dot Disconnected Formula C17H24O
Dot Disconnected Isotope Formula C17H24O
Composition C (83.55%), H (9.9%), O (6.55%)
Isotope Composition C (83.55%), H (9.9%), O (6.55%)
Donor Sites 1
Donor Count 1
Acceptor Sites 1
Acceptor Count 1


Top
TOPOLOGICAL PROPERTIESAtom Count42
Aliphatic Atom Count 18
Aliphatic Bond Count 17
Aromatic Bond Count 0
Asymmetric Atom Count 1
Bond Count 41
Chain Atom Count 18
Chain Bond Count 17
Chiral Center Count 1
Ring Atom Count 0
Ring Bond Count 0
Rotatable Bond Count 11
Stereo Double Bond Count 1
Aliphatic Ring Count 0
Aromatic Ring Count 0
Carbo Ring Count 0
Carboaliphatic Ring Count 0
Carboaromatic Ring Count 0
Fused Aliphatic Ring Count 0
Fused Aromatic Ring Count 0
Fused Ring Count 0
Hetero Ring Count 0
Heteroaliphatic Ring Count 0
Heteroaromatic Ring Count 0
Largest Ring Size 0
Largest Ring System Size 0
Ring Count 0
Smallest Ring Size 0
Smallest Ring System Size 0

 






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