MMsINC Database Search


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MMsINC code: MMs00607735

Type: Neutral
Formula: C₁₆H₁₅ClFNO₂

SMILES:

Clc1cc(NC(=O)COc2cc(ccc2C)C)ccc1F

InChI:

InChI=1/C16H15ClFNO2/c1-10-3-4-11(2)15(7-10)21-9-16(20)19-12-5-6-14(18)13(17)8-12/h3-8H,9H2,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.1864 kcal/mol

Physical Properties
Molecular Weight: 307.752 g/mol	logS: -5.09535	SlogP: 4.11344	Reactive groups: 0

Topological Properties
Globularity: 0.018485	Sterimol/B1: 2.07042	Sterimol/B2: 2.52262	Sterimol/B3: 3.5001
Sterimol/B4: 7.47345	Sterimol/L: 16.7141

Surface and Volume Properties
Accessible surface: 555.586	Positive charged surface: 289.274	Negative charged surface: 266.312	Volume: 279.125
Hydrophobic surface: 508.408	Hydrophilic surface: 47.178

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

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Ions/Tautomers related molecules: no related molecules available.