MMsINC Database Search


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MMsINC code: MMs00622574

Type: Neutral
Formula: C₁₅H₁₄FNOS

SMILES:

S(C(C(=O)Nc1cc(F)ccc1)C)c1ccccc1

InChI:

InChI=1/C15H14FNOS/c1-11(19-14-8-3-2-4-9-14)15(18)17-13-7-5-6-12(16)10-13/h2-11H,1H3,(H,17,18)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.4492 kcal/mol

Physical Properties
Molecular Weight: 275.347 g/mol	logS: -5.0249	SlogP: 3.945	Reactive groups: 0

Topological Properties
Globularity: 0.0967033	Sterimol/B1: 2.17366	Sterimol/B2: 2.94376	Sterimol/B3: 3.85705
Sterimol/B4: 8.25924	Sterimol/L: 13.9384

Surface and Volume Properties
Accessible surface: 491.625	Positive charged surface: 253.528	Negative charged surface: 238.097	Volume: 258.5
Hydrophobic surface: 412.265	Hydrophilic surface: 79.36

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.