MMsINC Database Search


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MMsINC code: MMs00625195

Type: Neutral
Formula: C₁₅H₁₂Cl₂O₂

SMILES:

Clc1ccccc1OC(C(=O)c1ccc(Cl)cc1)C

InChI:

InChI=1/C15H12Cl2O2/c1-10(19-14-5-3-2-4-13(14)17)15(18)11-6-8-12(16)9-7-11/h2-10H,1H3/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.4327 kcal/mol

Physical Properties
Molecular Weight: 295.165 g/mol	logS: -5.3303	SlogP: 4.6436	Reactive groups: 0

Topological Properties
Globularity: 0.070702	Sterimol/B1: 2.14345	Sterimol/B2: 4.01465	Sterimol/B3: 4.89573
Sterimol/B4: 5.0955	Sterimol/L: 15.5351

Surface and Volume Properties
Accessible surface: 504.786	Positive charged surface: 204.213	Negative charged surface: 300.573	Volume: 260.375
Hydrophobic surface: 452.213	Hydrophilic surface: 52.573

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