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MMsINC code: MMs00651805

Type: Neutral
Formula: C₂₂H₂₀FNOS

SMILES:

S(C(C(=O)NCCc1ccc(F)cc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C22H20FNOS/c23-19-13-11-17(12-14-19)15-16-24-22(25)21(18-7-3-1-4-8-18)26-20-9-5-2-6-10-20/h1-14,21H,15-16H2,(H,24,25)/t21-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.1255 kcal/mol

Physical Properties
Molecular Weight: 365.472 g/mol	logS: -6.4711	SlogP: 5.11347	Reactive groups: 0

Topological Properties
Globularity: 0.0936825	Sterimol/B1: 2.54503	Sterimol/B2: 3.60295	Sterimol/B3: 3.74114
Sterimol/B4: 11.9334	Sterimol/L: 15.2735

Surface and Volume Properties
Accessible surface: 647.6	Positive charged surface: 339.842	Negative charged surface: 307.758	Volume: 352.875
Hydrophobic surface: 596.801	Hydrophilic surface: 50.799

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.