MMsINC Database Search


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MMsINC code: MMs02680405

Type: Neutral
Formula: C₁₉H₁₈N₂O₂S

SMILES:

s1ccnc1N(C(=O)c1ccc(cc1)C)Cc1ccc(OC)cc1

InChI:

InChI=1/C19H18N2O2S/c1-14-3-7-16(8-4-14)18(22)21(19-20-11-12-24-19)13-15-5-9-17(23-2)10-6-15/h3-12H,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=155.351 kcal/mol

Physical Properties
Molecular Weight: 338.431 g/mol	logS: -5.01245	SlogP: 4.57352	Reactive groups: 0

Topological Properties
Globularity: 0.0794668	Sterimol/B1: 3.27467	Sterimol/B2: 3.45716	Sterimol/B3: 3.91387
Sterimol/B4: 8.3635	Sterimol/L: 15.7414

Surface and Volume Properties
Accessible surface: 572.927	Positive charged surface: 363.628	Negative charged surface: 209.298	Volume: 318.875
Hydrophobic surface: 516.315	Hydrophilic surface: 56.612

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.