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MMsINC code: MMs00504859

Type: Neutral
Formula: C₁₇H₁₉N₃O₂

SMILES:

O=C1N(CCC)C(=O)N2C1Cc1c([nH]c3c1cccc3)C2C

InChI:

InChI=1/C17H19N3O2/c1-3-8-19-16(21)14-9-12-11-6-4-5-7-13(11)18-15(12)10(2)20(14)17(19)22/h4-7,10,14,18H,3,8-9H2,1-2H3/t10-,14+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.879 kcal/mol

Physical Properties
Molecular Weight: 297.358 g/mol	logS: -3.17928	SlogP: 2.92327	Reactive groups: 0

Topological Properties
Globularity: 0.0469508	Sterimol/B1: 2.89545	Sterimol/B2: 3.73915	Sterimol/B3: 3.81546
Sterimol/B4: 5.41837	Sterimol/L: 17.0402

Surface and Volume Properties
Accessible surface: 524.452	Positive charged surface: 330.615	Negative charged surface: 188.949	Volume: 286.375
Hydrophobic surface: 390.743	Hydrophilic surface: 133.709

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.