MMsINC Database Search


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MMsINC code: MMs00105224

Type: Neutral
Formula: C₁₄H₁₃FN₂O₃S

SMILES:

S(=O)(=O)(NC(=O)Nc1cc(F)ccc1)c1ccc(cc1)C

InChI:

InChI=1/C14H13FN2O3S/c1-10-5-7-13(8-6-10)21(19,20)17-14(18)16-12-4-2-3-11(15)9-12/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)=2.187 kcal/mol

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

Topological Properties
Globularity: 0.127459	Sterimol/B1: 2.36171	Sterimol/B2: 3.42922	Sterimol/B3: 4.34523
Sterimol/B4: 7.8822	Sterimol/L: 13.865

Surface and Volume Properties
Accessible surface: 514.299	Positive charged surface: 260.237	Negative charged surface: 254.063	Volume: 261.875
Hydrophobic surface: 397.305	Hydrophilic surface: 116.994

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.