MMsINC Database Search


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MMsINC code: MMs03539299

Type: Neutral
Formula: C₁₂H₈Cl₂O₂

SMILES:

Clc1cc(Cl)ccc1Oc1ccc(O)cc1

InChI:

InChI=1/C12H8Cl2O2/c13-8-1-6-12(11(14)7-8)16-10-4-2-9(15)3-5-10/h1-7,15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.5693 kcal/mol

Physical Properties
Molecular Weight: 255.1 g/mol	logS: -4.27422	SlogP: 4.4913	Reactive groups: 0

Topological Properties
Globularity: 0.0903562	Sterimol/B1: 2.43822	Sterimol/B2: 3.05411	Sterimol/B3: 4.13997
Sterimol/B4: 5.61406	Sterimol/L: 13.7445

Surface and Volume Properties
Accessible surface: 442.842	Positive charged surface: 181.193	Negative charged surface: 261.649	Volume: 214.375
Hydrophobic surface: 391.717	Hydrophilic surface: 51.125

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.