MMsINC Database Search


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MMsINC code: MMs03077176

Type: Neutral
Formula: C₁₅H₁₂Cl₂O₂

SMILES:

ClC(Cl)=C(c1ccc(OC)cc1)c1ccc(O)cc1

InChI:

InChI=1/C15H12Cl2O2/c1-19-13-8-4-11(5-9-13)14(15(16)17)10-2-6-12(18)7-3-10/h2-9,18H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.7073 kcal/mol

Physical Properties
Molecular Weight: 295.165 g/mol	logS: -4.98225	SlogP: 4.52149	Reactive groups: 0

Topological Properties
Globularity: 0.130963	Sterimol/B1: 2.72162	Sterimol/B2: 3.39488	Sterimol/B3: 4.11282
Sterimol/B4: 7.28366	Sterimol/L: 14.3507

Surface and Volume Properties
Accessible surface: 499.293	Positive charged surface: 261.083	Negative charged surface: 238.21	Volume: 262.375
Hydrophobic surface: 432.596	Hydrophilic surface: 66.697

Pharmacophoric Properties
Hydrogen bond donors: 1	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.