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MMsINC code: MMs03160107

Type: Neutral
Formula: C₁₇H₁₈N₄O₄

SMILES:

O(CC(=O)Nc1ccc(cc1)C)CC(=O)NNC(=O)c1ncccc1

InChI:

InChI=1/C17H18N4O4/c1-12-5-7-13(8-6-12)19-15(22)10-25-11-16(23)20-21-17(24)14-4-2-3-9-18-14/h2-9H,10-11H2,1H3,(H,19,22)(H,20,23)(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.324 kcal/mol

Physical Properties
Molecular Weight: 342.355 g/mol	logS: -3.32327	SlogP: 0.80632	Reactive groups: 0

Topological Properties
Globularity: 0.0073447	Sterimol/B1: 2.66885	Sterimol/B2: 2.74627	Sterimol/B3: 2.93667
Sterimol/B4: 5.87431	Sterimol/L: 22.321

Surface and Volume Properties
Accessible surface: 648.999	Positive charged surface: 410.912	Negative charged surface: 238.087	Volume: 317.625
Hydrophobic surface: 465.252	Hydrophilic surface: 183.747

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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.