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MMsINC code: MMs00463473

Type: Neutral
Formula: C₁₉H₁₇N₃O₃

SMILES:

O(C)c1ccc(N2C(=O)C(NC2=O)Cc2c3c([nH]c2)cccc3)cc1

InChI:

InChI=1/C19H17N3O3/c1-25-14-8-6-13(7-9-14)22-18(23)17(21-19(22)24)10-12-11-20-16-5-3-2-4-15(12)16/h2-9,11,17,20H,10H2,1H3,(H,21,24)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.6277 kcal/mol

Physical Properties
Molecular Weight: 335.363 g/mol	logS: -4.028	SlogP: 2.84397	Reactive groups: 0

Topological Properties
Globularity: 0.0183199	Sterimol/B1: 2.81772	Sterimol/B2: 3.01228	Sterimol/B3: 3.84874
Sterimol/B4: 5.74987	Sterimol/L: 18.4958

Surface and Volume Properties
Accessible surface: 569.567	Positive charged surface: 346.369	Negative charged surface: 219.759	Volume: 310.625
Hydrophobic surface: 434.173	Hydrophilic surface: 135.394

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.