MMsINC Database Search


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MMsINC code: MMs02698013

Type: Neutral
Formula: C₁₅H₁₄Cl₂O

SMILES:

Clc1cc(ccc1Cl)COc1cc(ccc1C)C

InChI:

InChI=1/C15H14Cl2O/c1-10-3-4-11(2)15(7-10)18-9-12-5-6-13(16)14(17)8-12/h3-8H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.2297 kcal/mol

Physical Properties
Molecular Weight: 281.182 g/mol	logS: -5.30613	SlogP: 5.45564	Reactive groups: 0

Topological Properties
Globularity: 0.0870204	Sterimol/B1: 2.22472	Sterimol/B2: 3.72133	Sterimol/B3: 4.64016
Sterimol/B4: 7.33173	Sterimol/L: 15.3502

Surface and Volume Properties
Accessible surface: 519.395	Positive charged surface: 244.302	Negative charged surface: 275.093	Volume: 260.25
Hydrophobic surface: 515.334	Hydrophilic surface: 4.061

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.