MMsINC Database Search


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MMsINC code: MMs02323446

Type: Neutral
Formula: C₁₄H₁₂Cl₂O

SMILES:

Clc1ccccc1C(OC)c1ccc(Cl)cc1

InChI:

InChI=1/C14H12Cl2O/c1-17-14(10-6-8-11(15)9-7-10)12-4-2-3-5-13(12)16/h2-9,14H,1H3/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.8706 kcal/mol

Physical Properties
Molecular Weight: 267.155 g/mol	logS: -4.73756	SlogP: 4.8247	Reactive groups: 0

Topological Properties
Globularity: 0.295052	Sterimol/B1: 2.35884	Sterimol/B2: 4.29094	Sterimol/B3: 4.36553
Sterimol/B4: 7.27273	Sterimol/L: 12.7469

Surface and Volume Properties
Accessible surface: 463.723	Positive charged surface: 230.041	Negative charged surface: 233.683	Volume: 244.25
Hydrophobic surface: 460.556	Hydrophilic surface: 3.167

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.