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MMsINC code: MMs02586950

Type: Neutral
Formula: C₁₉H₂₁N₃O₃

SMILES:

OC1=C(C(=O)c2ccccc2)C(N(CCN(C)C)C1=O)c1[nH]ccc1

InChI:

InChI=1/C19H21N3O3/c1-21(2)11-12-22-16(14-9-6-10-20-14)15(18(24)19(22)25)17(23)13-7-4-3-5-8-13/h3-10,16,20,24H,11-12H2,1-2H3/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.5773 kcal/mol

Physical Properties
Molecular Weight: 339.395 g/mol	logS: -2.35663	SlogP: 2.2501	Reactive groups: 1

Topological Properties
Globularity: 0.243964	Sterimol/B1: 2.87136	Sterimol/B2: 4.70933	Sterimol/B3: 6.78084
Sterimol/B4: 7.32919	Sterimol/L: 15.0842

Surface and Volume Properties
Accessible surface: 596.662	Positive charged surface: 383.352	Negative charged surface: 213.31	Volume: 332.375
Hydrophobic surface: 447.857	Hydrophilic surface: 148.805

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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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