MMsINC Database Search


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MMsINC code: MMs02236183

Type: Neutral
Formula: C₁₅H₁₀ClNO

SMILES:

Clc1c2c(cccc2)c(Oc2ccccc2)nc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1765 kcal/mol

Physical Properties
Molecular Weight: 255.704 g/mol	logS: -4.83288	SlogP: 4.6805	Reactive groups: 0

Topological Properties
Globularity: 0.0724894	Sterimol/B1: 3.43576	Sterimol/B2: 3.51577	Sterimol/B3: 4.42061
Sterimol/B4: 5.37067	Sterimol/L: 14.0709

Surface and Volume Properties
Accessible surface: 461.158	Positive charged surface: 236.686	Negative charged surface: 216.12	Volume: 236.625
Hydrophobic surface: 453.493	Hydrophilic surface: 7.665

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

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Ions/Tautomers related molecules: no related molecules available.