MMsINC Database Search


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MMsINC code: MMs01540494

Type: Neutral
Formula: C₁₉H₂₀N₂O₂S

SMILES:

S(C)c1ccc(cc1)CN1C(=O)C(NC1=O)(CC)c1ccccc1

InChI:

InChI=1/C19H20N2O2S/c1-3-19(15-7-5-4-6-8-15)17(22)21(18(23)20-19)13-14-9-11-16(24-2)12-10-14/h4-12H,3,13H2,1-2H3,(H,20,23)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.2469 kcal/mol

Physical Properties
Molecular Weight: 340.447 g/mol	logS: -5.12067	SlogP: 4.3437	Reactive groups: 0

Topological Properties
Globularity: 0.101529	Sterimol/B1: 2.18842	Sterimol/B2: 2.48495	Sterimol/B3: 5.46552
Sterimol/B4: 5.92814	Sterimol/L: 17.2509

Surface and Volume Properties
Accessible surface: 568.55	Positive charged surface: 312.499	Negative charged surface: 256.051	Volume: 327.125
Hydrophobic surface: 431.409	Hydrophilic surface: 137.141

Pharmacophoric Properties
Hydrogen bond donors: 1	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.