MMsINC Database Search


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MMsINC code: MMs02548593

Type: Neutral
Formula: C₁₃H₁₀ClFO

SMILES:

Clc1cc(ccc1F)C(O)c1ccccc1

InChI:

InChI=1/C13H10ClFO/c14-11-8-10(6-7-12(11)15)13(16)9-4-2-1-3-5-9/h1-8,13,16H/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.6469 kcal/mol

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

Topological Properties
Globularity: 0.181617	Sterimol/B1: 2.22033	Sterimol/B2: 3.78012	Sterimol/B3: 4.65857
Sterimol/B4: 5.20174	Sterimol/L: 11.9433

Surface and Volume Properties
Accessible surface: 424.9	Positive charged surface: 174.705	Negative charged surface: 250.195	Volume: 213.75
Hydrophobic surface: 386.573	Hydrophilic surface: 38.327

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.