MMsINC Database Search


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MMsINC code: MMs00838891

Type: Neutral
Formula: C₁₅H₁₅FN₂O₃S

SMILES:

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

InChI:

InChI=1/C15H15FN2O3S/c1-10-3-7-13(8-4-10)22(20,21)18-15(19)17-12-6-5-11(2)14(16)9-12/h3-9H,1-2H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=5.11301 kcal/mol

Physical Properties
Molecular Weight: 322.36 g/mol	logS: -4.40451	SlogP: 2.95294	Reactive groups: 0

Topological Properties
Globularity: 0.103073	Sterimol/B1: 2.27775	Sterimol/B2: 3.43616	Sterimol/B3: 4.47571
Sterimol/B4: 8.15269	Sterimol/L: 15.0131

Surface and Volume Properties
Accessible surface: 541.711	Positive charged surface: 287.158	Negative charged surface: 254.553	Volume: 278
Hydrophobic surface: 424.716	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.