MMsINC Database Search


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MMsINC code: MMs00121062

Type: Neutral
Formula: C₁₅H₁₄Cl₂O₂

SMILES:

Clc1cc(ccc1OC)Cc1cc(Cl)c(OC)cc1

InChI:

InChI=1/C15H14Cl2O2/c1-18-14-5-3-10(8-12(14)16)7-11-4-6-15(19-2)13(17)9-11/h3-6,8-9H,7H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.4596 kcal/mol

Physical Properties
Molecular Weight: 297.181 g/mol	logS: -5.0706	SlogP: 4.60137	Reactive groups: 0

Topological Properties
Globularity: 0.141578	Sterimol/B1: 2.10659	Sterimol/B2: 4.96271	Sterimol/B3: 5.69641
Sterimol/B4: 5.75362	Sterimol/L: 15.2026

Surface and Volume Properties
Accessible surface: 522.732	Positive charged surface: 299.703	Negative charged surface: 223.029	Volume: 271.75
Hydrophobic surface: 511.648	Hydrophilic surface: 11.084

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.