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MMsINC code: MMs00582635

Type: Neutral
Formula: C₂₀H₁₉N₃O₃

SMILES:

Oc1ccc(cc1)C1NC(=O)N(C2=C1C(=O)N(C2)Cc1ccccc1)C

InChI:

InChI=1/C20H19N3O3/c1-22-16-12-23(11-13-5-3-2-4-6-13)19(25)17(16)18(21-20(22)26)14-7-9-15(24)10-8-14/h2-10,18,24H,11-12H2,1H3,(H,21,26)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.8675 kcal/mol

Physical Properties
Molecular Weight: 349.39 g/mol	logS: -3.61741	SlogP: 2.7467	Reactive groups: 0

Topological Properties
Globularity: 0.207197	Sterimol/B1: 2.25981	Sterimol/B2: 2.96917	Sterimol/B3: 5.17647
Sterimol/B4: 10.3362	Sterimol/L: 12.2509

Surface and Volume Properties
Accessible surface: 587.36	Positive charged surface: 380.047	Negative charged surface: 207.314	Volume: 333
Hydrophobic surface: 440.607	Hydrophilic surface: 146.753

Pharmacophoric Properties
Hydrogen bond donors: 2	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.