MMsINC Database Search


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MMsINC code: MMs03217753

Type: Neutral
Formula: C₁₅H₉Cl₂NO

SMILES:

Clc1ccccc1Oc1c2c(ncc1)c(Cl)ccc2

InChI:

InChI=1/C15H9Cl2NO/c16-11-5-1-2-7-14(11)19-13-8-9-18-15-10(13)4-3-6-12(15)17/h1-9H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.6003 kcal/mol

Physical Properties
Molecular Weight: 290.149 g/mol	logS: -5.22471	SlogP: 5.3339	Reactive groups: 0

Topological Properties
Globularity: 0.0904896	Sterimol/B1: 2.5025	Sterimol/B2: 3.7973	Sterimol/B3: 5.26777
Sterimol/B4: 5.80576	Sterimol/L: 14.2593

Surface and Volume Properties
Accessible surface: 472.806	Positive charged surface: 217.544	Negative charged surface: 251.361	Volume: 251.5
Hydrophobic surface: 459.275	Hydrophilic surface: 13.531

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.