MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02548595

Type: Neutral
Formula: C₁₃H₁₀ClFO

SMILES:

Clc1cc(ccc1)C(O)c1ccc(F)cc1

InChI:

InChI=1/C13H10ClFO/c14-11-3-1-2-10(8-11)13(16)9-4-6-12(15)7-5-9/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)=52.0326 kcal/mol

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

Topological Properties
Globularity: 0.180279	Sterimol/B1: 2.45052	Sterimol/B2: 2.66944	Sterimol/B3: 4.75197
Sterimol/B4: 5.9564	Sterimol/L: 11.9381

Surface and Volume Properties
Accessible surface: 423.205	Positive charged surface: 172.446	Negative charged surface: 250.759	Volume: 212.875
Hydrophobic surface: 384.356	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.