MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02348619

Type: Neutral
Formula: C₁₅H₁₀ClNO

SMILES:

Clc1ccccc1-c1nc2c(cc1O)cccc2

InChI:

InChI=1/C15H10ClNO/c16-12-7-3-2-6-11(12)15-14(18)9-10-5-1-4-8-13(10)17-15/h1-9,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.0463 kcal/mol

Physical Properties
Molecular Weight: 255.704 g/mol	logS: -4.74094	SlogP: 4.2608	Reactive groups: 0

Topological Properties
Globularity: 0.047061	Sterimol/B1: 2.84248	Sterimol/B2: 3.75949	Sterimol/B3: 4.03598
Sterimol/B4: 4.45426	Sterimol/L: 14.1906

Surface and Volume Properties
Accessible surface: 451.583	Positive charged surface: 220.028	Negative charged surface: 223.631	Volume: 235.5
Hydrophobic surface: 400.636	Hydrophilic surface: 50.947

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.