MMsINC Database Search


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MMsINC code: MMs00481100

Type: Neutral
Formula: C₁₉H₁₉FN₂O₂S

SMILES:

S(CCC(N1Cc2c(cccc2)C1=O)C(=O)Nc1cc(F)ccc1)C

InChI:

InChI=1/C19H19FN2O2S/c1-25-10-9-17(18(23)21-15-7-4-6-14(20)11-15)22-12-13-5-2-3-8-16(13)19(22)24/h2-8,11,17H,9-10,12H2,1H3,(H,21,23)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.1077 kcal/mol

Physical Properties
Molecular Weight: 358.437 g/mol	logS: -5.03248	SlogP: 3.8083	Reactive groups: 0

Topological Properties
Globularity: 0.0863433	Sterimol/B1: 2.37634	Sterimol/B2: 3.59394	Sterimol/B3: 4.18519
Sterimol/B4: 10.2264	Sterimol/L: 15.6926

Surface and Volume Properties
Accessible surface: 618.032	Positive charged surface: 338.371	Negative charged surface: 279.661	Volume: 330.75
Hydrophobic surface: 523.33	Hydrophilic surface: 94.702

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.