MMsINC Database Search


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MMsINC code: MMs00048325

Type: Neutral
Formula: C₁₅H₁₂ClFO₂

SMILES:

Clc1cccc(F)c1COc1ccc(cc1)C(=O)C

InChI:

InChI=1/C15H12ClFO2/c1-10(18)11-5-7-12(8-6-11)19-9-13-14(16)3-2-4-15(13)17/h2-8H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.081 kcal/mol

Physical Properties
Molecular Weight: 278.71 g/mol	logS: -4.5447	SlogP: 4.5271	Reactive groups: 0

Topological Properties
Globularity: 0.0645821	Sterimol/B1: 2.23459	Sterimol/B2: 3.8595	Sterimol/B3: 4.74738
Sterimol/B4: 5.11277	Sterimol/L: 16.3129

Surface and Volume Properties
Accessible surface: 502.966	Positive charged surface: 232.344	Negative charged surface: 270.622	Volume: 249.75
Hydrophobic surface: 453.621	Hydrophilic surface: 49.345

Pharmacophoric Properties
Hydrogen bond donors: 0	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.