MMsINC Database Search


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MMsINC code: MMs01502101

Type: Neutral
Formula: C₁₉H₁₇FN₂O₃S

SMILES:

S(CCC(N1C(=O)c2c(cccc2)C1=O)C(=O)Nc1cc(F)ccc1)C

InChI:

InChI=1/C19H17FN2O3S/c1-26-10-9-16(17(23)21-13-6-4-5-12(20)11-13)22-18(24)14-7-2-3-8-15(14)19(22)25/h2-8,11,16H,9-10H2,1H3,(H,21,23)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.3092 kcal/mol

Physical Properties
Molecular Weight: 372.42 g/mol	logS: -5.41979	SlogP: 3.1821	Reactive groups: 0

Topological Properties
Globularity: 0.0820371	Sterimol/B1: 2.38274	Sterimol/B2: 3.77586	Sterimol/B3: 4.49297
Sterimol/B4: 10.2514	Sterimol/L: 15.5505

Surface and Volume Properties
Accessible surface: 621.505	Positive charged surface: 314.671	Negative charged surface: 306.835	Volume: 331.375
Hydrophobic surface: 495.764	Hydrophilic surface: 125.741

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.