MMsINC Database Search


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MMsINC code: MMs02548601

Type: Neutral
Formula: C₁₃H₁₀ClFO

SMILES:

Clc1ccc(cc1)C(O)c1cc(F)ccc1

InChI:

InChI=1/C13H10ClFO/c14-11-6-4-9(5-7-11)13(16)10-2-1-3-12(15)8-10/h1-8,13,16H/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.0635 kcal/mol

Physical Properties
Molecular Weight: 236.673 g/mol	logS: -3.95307	SlogP: 3.6563	Reactive groups: 0

Topological Properties
Globularity: 0.181546	Sterimol/B1: 2.44452	Sterimol/B2: 3.3516	Sterimol/B3: 4.74268
Sterimol/B4: 5.06864	Sterimol/L: 12.8076

Surface and Volume Properties
Accessible surface: 424.459	Positive charged surface: 172.577	Negative charged surface: 251.882	Volume: 211.125
Hydrophobic surface: 385.61	Hydrophilic surface: 38.849

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.