MMsINC Database Search


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MMsINC code: MMs01611552

Type: Neutral
Formula: C₁₇H₁₆FNO₂S

SMILES:

S1CCC(NC(=O)COc2ccccc2F)c2c1cccc2

InChI:

InChI=1/C17H16FNO2S/c18-13-6-2-3-7-15(13)21-11-17(20)19-14-9-10-22-16-8-4-1-5-12(14)16/h1-8,14H,9-11H2,(H,19,20)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.861 kcal/mol

Physical Properties
Molecular Weight: 317.384 g/mol	logS: -5.04272	SlogP: 3.6533	Reactive groups: 0

Topological Properties
Globularity: 0.0570051	Sterimol/B1: 2.69242	Sterimol/B2: 3.43819	Sterimol/B3: 4.12679
Sterimol/B4: 7.28792	Sterimol/L: 16.483

Surface and Volume Properties
Accessible surface: 546.494	Positive charged surface: 305.031	Negative charged surface: 241.463	Volume: 288
Hydrophobic surface: 463.738	Hydrophilic surface: 82.756

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.