MMsINC Database Search


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MMsINC code: MMs00588699

Type: Neutral
Formula: C₁₉H₁₃ClFNO

SMILES:

Clc1cccc(F)c1C1CC(=O)Nc2c1ccc1c2cccc1

InChI:

InChI=1/C19H13ClFNO/c20-15-6-3-7-16(21)18(15)14-10-17(23)22-19-12-5-2-1-4-11(12)8-9-13(14)19/h1-9,14H,10H2,(H,22,23)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.8527 kcal/mol

Physical Properties
Molecular Weight: 325.77 g/mol	logS: -6.20237	SlogP: 5.1064	Reactive groups: 0

Topological Properties
Globularity: 0.201634	Sterimol/B1: 3.29853	Sterimol/B2: 3.38842	Sterimol/B3: 4.49837
Sterimol/B4: 5.52012	Sterimol/L: 14.3076

Surface and Volume Properties
Accessible surface: 500.766	Positive charged surface: 238.756	Negative charged surface: 255.047	Volume: 285
Hydrophobic surface: 442.86	Hydrophilic surface: 57.906

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.