MMsINC Database Search


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

MMsINC code: MMs02572676

Type: Neutral
Formula: C₁₄H₁₀ClFO₂

SMILES:

Clc1ccccc1COC(=O)c1ccc(F)cc1

InChI:

InChI=1/C14H10ClFO2/c15-13-4-2-1-3-11(13)9-18-14(17)10-5-7-12(16)8-6-10/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.7383 kcal/mol

Physical Properties
Molecular Weight: 264.683 g/mol	logS: -4.56378	SlogP: 4.1025	Reactive groups: 0

Topological Properties
Globularity: 0.00438287	Sterimol/B1: 2.37245	Sterimol/B2: 2.37764	Sterimol/B3: 2.55625
Sterimol/B4: 6.51148	Sterimol/L: 14.762

Surface and Volume Properties
Accessible surface: 472.807	Positive charged surface: 202.371	Negative charged surface: 270.436	Volume: 234.5
Hydrophobic surface: 431.995	Hydrophilic surface: 40.812

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.