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MMsINC code: MMs00165248

Type: Neutral
Formula: C₂₀H₂₃FN₂O₃S

SMILES:

S(=O)(=O)(N1CC(CCC1)C(=O)NCc1ccc(F)cc1)c1ccc(cc1)C

InChI:

InChI=1/C20H23FN2O3S/c1-15-4-10-19(11-5-15)27(25,26)23-12-2-3-17(14-23)20(24)22-13-16-6-8-18(21)9-7-16/h4-11,17H,2-3,12-14H2,1H3,(H,22,24)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.7508 kcal/mol

Physical Properties
Molecular Weight: 390.479 g/mol	logS: -4.31667	SlogP: 3.11762	Reactive groups: 0

Topological Properties
Globularity: 0.110981	Sterimol/B1: 2.10389	Sterimol/B2: 3.78842	Sterimol/B3: 4.64179
Sterimol/B4: 9.2568	Sterimol/L: 15.9515

Surface and Volume Properties
Accessible surface: 643.832	Positive charged surface: 372.865	Negative charged surface: 270.966	Volume: 358.75
Hydrophobic surface: 544.158	Hydrophilic surface: 99.674

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.