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MMsINC code: MMs03016987

Type: Neutral
Formula: C₁₄H₁₃FN₂O₃S

SMILES:

S(=O)(=O)(N)c1ccc(cc1)C(=O)NCc1ccc(F)cc1

InChI:

InChI=1/C14H13FN2O3S/c15-12-5-1-10(2-6-12)9-17-14(18)11-3-7-13(8-4-11)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.9294 kcal/mol

Physical Properties
Molecular Weight: 308.333 g/mol	logS: -3.8205	SlogP: 1.6695	Reactive groups: 0

Topological Properties
Globularity: 0.0615159	Sterimol/B1: 2.44582	Sterimol/B2: 3.75826	Sterimol/B3: 4.77705
Sterimol/B4: 4.9094	Sterimol/L: 16.0233

Surface and Volume Properties
Accessible surface: 523.673	Positive charged surface: 259.39	Negative charged surface: 264.283	Volume: 262.125
Hydrophobic surface: 345.243	Hydrophilic surface: 178.43

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

MMs03016988
PUBCHEM-ZINC03581212