MMsINC Database Search


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MMsINC code: MMs02846556

Type: Neutral
Formula: C₉H₇ClO

SMILES:

Clc1cc2cc(oc2cc1)C

InChI:

InChI=1/C9H7ClO/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.3272 kcal/mol

Physical Properties
Molecular Weight: 166.607 g/mol	logS: -3.87789	SlogP: 3.39462	Reactive groups: 0

Topological Properties
Globularity: 0.0138596	Sterimol/B1: 2.09795	Sterimol/B2: 2.51205	Sterimol/B3: 3.87934
Sterimol/B4: 4.03709	Sterimol/L: 11.559

Surface and Volume Properties
Accessible surface: 348.944	Positive charged surface: 155.149	Negative charged surface: 187.98	Volume: 153.75
Hydrophobic surface: 337.184	Hydrophilic surface: 11.76

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