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MMsINC code: MMs01212362

Type: Neutral
Formula: C₁₄H₁₇FN₂O₂S

SMILES:

S1CC(=O)N(CC(=O)NC(C)C)C1c1ccccc1F

InChI:

InChI=1/C14H17FN2O2S/c1-9(2)16-12(18)7-17-13(19)8-20-14(17)10-5-3-4-6-11(10)15/h3-6,9,14H,7-8H2,1-2H3,(H,16,18)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.5901 kcal/mol

Physical Properties
Molecular Weight: 296.366 g/mol	logS: -3.56844	SlogP: 2.0198	Reactive groups: 0

Topological Properties
Globularity: 0.20688	Sterimol/B1: 3.34049	Sterimol/B2: 3.51445	Sterimol/B3: 4.50571
Sterimol/B4: 7.45663	Sterimol/L: 12.3359

Surface and Volume Properties
Accessible surface: 495.305	Positive charged surface: 306.795	Negative charged surface: 188.51	Volume: 270.5
Hydrophobic surface: 353.329	Hydrophilic surface: 141.976

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.