MMsINC Database Search


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MMsINC code: MMs00778376

Type: Neutral
Formula: C₁₅H₁₄FNOS

SMILES:

S(CCNC(=O)c1ccc(F)cc1)c1ccccc1

InChI:

InChI=1/C15H14FNOS/c16-13-8-6-12(7-9-13)15(18)17-10-11-19-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.8142 kcal/mol

Physical Properties
Molecular Weight: 275.347 g/mol	logS: -4.64173	SlogP: 3.3478	Reactive groups: 0

Topological Properties
Globularity: 0.00493932	Sterimol/B1: 2.37346	Sterimol/B2: 2.37698	Sterimol/B3: 3.12565
Sterimol/B4: 5.44438	Sterimol/L: 17.3913

Surface and Volume Properties
Accessible surface: 518.976	Positive charged surface: 265.104	Negative charged surface: 253.871	Volume: 259.5
Hydrophobic surface: 441.443	Hydrophilic surface: 77.533

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.