MMsINC Database Search


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MMsINC code: MMs01586451

Type: Neutral
Formula: C₁₆H₁₅ClFNO₂

SMILES:

Clc1ccccc1C(NC(=O)COc1ccccc1F)C

InChI:

InChI=1/C16H15ClFNO2/c1-11(12-6-2-3-7-13(12)17)19-16(20)10-21-15-9-5-4-8-14(15)18/h2-9,11H,10H2,1H3,(H,19,20)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1766 kcal/mol

Physical Properties
Molecular Weight: 307.752 g/mol	logS: -4.73221	SlogP: 3.8308	Reactive groups: 0

Topological Properties
Globularity: 0.0409699	Sterimol/B1: 2.3082	Sterimol/B2: 2.43187	Sterimol/B3: 4.86699
Sterimol/B4: 6.37454	Sterimol/L: 16.6927

Surface and Volume Properties
Accessible surface: 544.304	Positive charged surface: 271.654	Negative charged surface: 272.65	Volume: 279.25
Hydrophobic surface: 482.239	Hydrophilic surface: 62.065

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.