MMsINC Database Search


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MMsINC code: MMs00753586

Type: Neutral
Formula: C₁₅H₁₄FNOS

SMILES:

S(C)c1ccccc1C(=O)NCc1ccc(F)cc1

InChI:

InChI=1/C15H14FNOS/c1-19-14-5-3-2-4-13(14)15(18)17-10-11-6-8-12(16)9-7-11/h2-9H,10H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.9029 kcal/mol

Physical Properties
Molecular Weight: 275.347 g/mol	logS: -4.61529	SlogP: 3.744	Reactive groups: 0

Topological Properties
Globularity: 0.0557383	Sterimol/B1: 2.50062	Sterimol/B2: 3.61929	Sterimol/B3: 3.62048
Sterimol/B4: 6.86809	Sterimol/L: 15.526

Surface and Volume Properties
Accessible surface: 502.265	Positive charged surface: 267.693	Negative charged surface: 234.572	Volume: 259.5
Hydrophobic surface: 436.426	Hydrophilic surface: 65.839

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