MMsINC Database Search


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MMsINC code: MMs00599928

Type: Neutral
Formula: C₁₀H₆Cl₂O

SMILES:

Clc1c2c(cccc2O)c(Cl)cc1

InChI:

InChI=1/C10H6Cl2O/c11-7-4-5-8(12)10-6(7)2-1-3-9(10)13/h1-5,13H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.6204 kcal/mol

Physical Properties
Molecular Weight: 213.063 g/mol	logS: -4.36939	SlogP: 3.8522	Reactive groups: 0

Topological Properties
Globularity: 0.00747575	Sterimol/B1: 2.1757	Sterimol/B2: 2.19039	Sterimol/B3: 3.77452
Sterimol/B4: 6.47089	Sterimol/L: 9.97578

Surface and Volume Properties
Accessible surface: 361.708	Positive charged surface: 134.633	Negative charged surface: 216.004	Volume: 176.875
Hydrophobic surface: 325.56	Hydrophilic surface: 36.148

Pharmacophoric Properties
Hydrogen bond donors: 1	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.