MMsINC Database Search


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MMsINC code: MMs01037085

Type: Neutral
Formula: C₁₉H₂₃FN₂O₂S

SMILES:

S(=O)(=O)(NC1CCCCC1Nc1ccc(F)cc1)c1ccc(cc1)C

InChI:

InChI=1/C19H23FN2O2S/c1-14-6-12-17(13-7-14)25(23,24)22-19-5-3-2-4-18(19)21-16-10-8-15(20)9-11-16/h6-13,18-19,21-22H,2-5H2,1H3/t18-,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.9773 kcal/mol

Physical Properties
Molecular Weight: 362.469 g/mol	logS: -4.53848	SlogP: 3.83572	Reactive groups: 0

Topological Properties
Globularity: 0.204097	Sterimol/B1: 2.52218	Sterimol/B2: 5.81058	Sterimol/B3: 6.75981
Sterimol/B4: 6.9778	Sterimol/L: 13.7548

Surface and Volume Properties
Accessible surface: 584.762	Positive charged surface: 334.911	Negative charged surface: 249.851	Volume: 337.75
Hydrophobic surface: 509.676	Hydrophilic surface: 75.086

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.