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MMsINC code: MMs00119282

Type: Neutral
Formula: C₁₇H₁₇N₃O₃

SMILES:

O=C(NNC(=O)c1ccc(NC(=O)C)cc1)c1cc(ccc1)C

InChI:

InChI=1/C17H17N3O3/c1-11-4-3-5-14(10-11)17(23)20-19-16(22)13-6-8-15(9-7-13)18-12(2)21/h3-10H,1-2H3,(H,18,21)(H,19,22)(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.9606 kcal/mol

Physical Properties
Molecular Weight: 311.341 g/mol	logS: -4.26677	SlogP: 2.02822	Reactive groups: 0

Topological Properties
Globularity: 0.00519443	Sterimol/B1: 2.38873	Sterimol/B2: 2.48542	Sterimol/B3: 2.77837
Sterimol/B4: 5.84608	Sterimol/L: 20.4459

Surface and Volume Properties
Accessible surface: 578.13	Positive charged surface: 314.875	Negative charged surface: 263.255	Volume: 296.75
Hydrophobic surface: 434.127	Hydrophilic surface: 144.003

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.