MMsINC Database Search


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MMsINC code: MMs00221363

Type: Neutral
Formula: C₁₈H₁₉FN₂O₃S

SMILES:

S(=O)(=O)(N1Cc2c(CC1C(=O)N(C)C)cccc2)c1ccc(F)cc1

InChI:

InChI=1/C18H19FN2O3S/c1-20(2)18(22)17-11-13-5-3-4-6-14(13)12-21(17)25(23,24)16-9-7-15(19)8-10-16/h3-10,17H,11-12H2,1-2H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.6508 kcal/mol

Physical Properties
Molecular Weight: 362.425 g/mol	logS: -3.61177	SlogP: 2.29587	Reactive groups: 0

Topological Properties
Globularity: 0.271303	Sterimol/B1: 3.67987	Sterimol/B2: 3.89447	Sterimol/B3: 5.28458
Sterimol/B4: 7.74796	Sterimol/L: 13.5142

Surface and Volume Properties
Accessible surface: 549.147	Positive charged surface: 337.079	Negative charged surface: 212.068	Volume: 321.875
Hydrophobic surface: 493.975	Hydrophilic surface: 55.172

Pharmacophoric Properties
Hydrogen bond donors: 0	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.