MMsINC Database Search


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MMsINC code: MMs02667561

Type: Neutral
Formula: C₁₉H₂₀N₂O₂S

SMILES:

S1CC(=O)N(Cc2ccccc2)C1c1ccc(cc1)C(=O)N(C)C

InChI:

InChI=1/C19H20N2O2S/c1-20(2)18(23)15-8-10-16(11-9-15)19-21(17(22)13-24-19)12-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.0661 kcal/mol

Physical Properties
Molecular Weight: 340.447 g/mol	logS: -4.25451	SlogP: 3.5245	Reactive groups: 0

Topological Properties
Globularity: 0.0915006	Sterimol/B1: 3.61116	Sterimol/B2: 3.84822	Sterimol/B3: 5.29813
Sterimol/B4: 5.57615	Sterimol/L: 14.5507

Surface and Volume Properties
Accessible surface: 537.923	Positive charged surface: 362.017	Negative charged surface: 175.906	Volume: 324.125
Hydrophobic surface: 431.65	Hydrophilic surface: 106.273

Pharmacophoric Properties
Hydrogen bond donors: 0	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.