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MMsINC code: MMs01471181

Type: Neutral
Formula: C₁₅H₁₅FN₂O₃S

SMILES:

S(=O)(=O)(N)c1ccc(cc1)C(NC(=O)c1cc(F)ccc1)C

InChI:

InChI=1/C15H15FN2O3S/c1-10(11-5-7-14(8-6-11)22(17,20)21)18-15(19)12-3-2-4-13(16)9-12/h2-10H,1H3,(H,18,19)(H2,17,20,21)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.1787 kcal/mol

Physical Properties
Molecular Weight: 322.36 g/mol	logS: -4.14771	SlogP: 2.0596	Reactive groups: 0

Topological Properties
Globularity: 0.0674005	Sterimol/B1: 2.22547	Sterimol/B2: 2.42395	Sterimol/B3: 4.23768
Sterimol/B4: 7.5615	Sterimol/L: 16.2271

Surface and Volume Properties
Accessible surface: 544.471	Positive charged surface: 265.642	Negative charged surface: 278.828	Volume: 281.5
Hydrophobic surface: 358.692	Hydrophilic surface: 185.779

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs01471182
ENAMINE-ZINC03490876