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MMsINC code: MMs02440414

Type: Neutral
Formula: C₁₅H₁₆N₂O₃

SMILES:

O1CN(CN2C(=O)C=CC2=O)C(C)C1c1ccccc1

InChI:

InChI=1/C15H16N2O3/c1-11-15(12-5-3-2-4-6-12)20-10-16(11)9-17-13(18)7-8-14(17)19/h2-8,11,15H,9-10H2,1H3/t11-,15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.6097 kcal/mol

Physical Properties
Molecular Weight: 272.304 g/mol	logS: -2.39457	SlogP: 1.3839	Reactive groups: 1

Topological Properties
Globularity: 0.0950375	Sterimol/B1: 2.38053	Sterimol/B2: 2.83699	Sterimol/B3: 4.106
Sterimol/B4: 5.04972	Sterimol/L: 15.3382

Surface and Volume Properties
Accessible surface: 483.99	Positive charged surface: 283.32	Negative charged surface: 200.669	Volume: 260.75
Hydrophobic surface: 362.152	Hydrophilic surface: 121.838

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.