MMsINC Database Search


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MMsINC code: MMs01212190

Type: Neutral
Formula: C₁₅H₁₉FN₂O₂S

SMILES:

S1CC(=O)N(CCC(=O)NC(C)C)C1c1cc(F)ccc1

InChI:

InChI=1/C15H19FN2O2S/c1-10(2)17-13(19)6-7-18-14(20)9-21-15(18)11-4-3-5-12(16)8-11/h3-5,8,10,15H,6-7,9H2,1-2H3,(H,17,19)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.3141 kcal/mol

Physical Properties
Molecular Weight: 310.393 g/mol	logS: -3.45036	SlogP: 2.4099	Reactive groups: 0

Topological Properties
Globularity: 0.119916	Sterimol/B1: 2.73663	Sterimol/B2: 4.49433	Sterimol/B3: 5.34024
Sterimol/B4: 6.56292	Sterimol/L: 13.6869

Surface and Volume Properties
Accessible surface: 555.158	Positive charged surface: 327.965	Negative charged surface: 227.193	Volume: 290.375
Hydrophobic surface: 395.158	Hydrophilic surface: 160

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.