MMsINC Database Search


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MMsINC code: MMs02694616

Type: Neutral
Formula: C₁₅H₁₂Cl₂O₂

SMILES:

Clc1c(cc(OC(=O)c2ccccc2Cl)cc1C)C

InChI:

InChI=1/C15H12Cl2O2/c1-9-7-11(8-10(2)14(9)17)19-15(18)12-5-3-4-6-13(12)16/h3-8H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.4852 kcal/mol

Physical Properties
Molecular Weight: 295.165 g/mol	logS: -5.28846	SlogP: 4.82944	Reactive groups: 0

Topological Properties
Globularity: 0.0726626	Sterimol/B1: 2.22444	Sterimol/B2: 3.0939	Sterimol/B3: 5.05403
Sterimol/B4: 7.28386	Sterimol/L: 15.3744

Surface and Volume Properties
Accessible surface: 509.716	Positive charged surface: 238.831	Negative charged surface: 270.885	Volume: 262.5
Hydrophobic surface: 489.64	Hydrophilic surface: 20.076

Pharmacophoric Properties
Hydrogen bond donors: 0	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.