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MMsINC code: MMs01961625

Type: Neutral
Formula: C₁₅H₁₇N₃O₃

SMILES:

O=C1Nc2cc(ccc2NC1=O)C(=O)NC1CCCCC1

InChI:

InChI=1/C15H17N3O3/c19-13(16-10-4-2-1-3-5-10)9-6-7-11-12(8-9)18-15(21)14(20)17-11/h6-8,10H,1-5H2,(H,16,19)(H,17,20)(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.6921 kcal/mol

Physical Properties
Molecular Weight: 287.319 g/mol	logS: -3.55517	SlogP: 1.6397	Reactive groups: 0

Topological Properties
Globularity: 0.0362556	Sterimol/B1: 2.93695	Sterimol/B2: 3.08609	Sterimol/B3: 3.33143
Sterimol/B4: 4.96654	Sterimol/L: 16.9905

Surface and Volume Properties
Accessible surface: 506.117	Positive charged surface: 322.748	Negative charged surface: 183.37	Volume: 265.625
Hydrophobic surface: 325.136	Hydrophilic surface: 180.981

Pharmacophoric Properties
Hydrogen bond donors: 3	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.