MMsINC Database Search


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MMsINC code: MMs01384738

Type: Neutral
Formula: C₁₆H₁₅ClFNO₂

SMILES:

Clc1cc(C(=O)NC(C)c2ccc(F)cc2)c(OC)cc1

InChI:

InChI=1/C16H15ClFNO2/c1-10(11-3-6-13(18)7-4-11)19-16(20)14-9-12(17)5-8-15(14)21-2/h3-10H,1-2H3,(H,19,20)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.8723 kcal/mol

Physical Properties
Molecular Weight: 307.752 g/mol	logS: -4.70577	SlogP: 4.0742	Reactive groups: 0

Topological Properties
Globularity: 0.0654768	Sterimol/B1: 2.18087	Sterimol/B2: 2.78127	Sterimol/B3: 5.06131
Sterimol/B4: 7.98455	Sterimol/L: 14.7204

Surface and Volume Properties
Accessible surface: 541.752	Positive charged surface: 287.803	Negative charged surface: 253.949	Volume: 279.75
Hydrophobic surface: 488.756	Hydrophilic surface: 52.996

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