MMsINC Database Search


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MMsINC code: MMs00093469

Type: Neutral
Formula: C₁₄H₁₃FN₂O₃S

SMILES:

S(=O)(=O)(NC(=O)Nc1ccc(F)cc1)c1ccc(cc1)C

InChI:

InChI=1/C14H13FN2O3S/c1-10-2-8-13(9-3-10)21(19,20)17-14(18)16-12-6-4-11(15)5-7-12/h2-9H,1H3,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=3.96199 kcal/mol

Physical Properties
Molecular Weight: 308.333 g/mol	logS: -4.24404	SlogP: 2.64452	Reactive groups: 0

Topological Properties
Globularity: 0.125185	Sterimol/B1: 2.36276	Sterimol/B2: 3.43632	Sterimol/B3: 4.38575
Sterimol/B4: 7.88223	Sterimol/L: 14.0488

Surface and Volume Properties
Accessible surface: 514.523	Positive charged surface: 259.763	Negative charged surface: 254.76	Volume: 261.25
Hydrophobic surface: 397.528	Hydrophilic surface: 116.995

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.