MMsINC Database Search


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MMsINC code: MMs00322285

Type: Neutral
Formula: C₁₈H₁₆N₂O₂

SMILES:

o1cccc1CN(C(=O)c1cccnc1)c1ccc(cc1)C

InChI:

InChI=1/C18H16N2O2/c1-14-6-8-16(9-7-14)20(13-17-5-3-11-22-17)18(21)15-4-2-10-19-12-15/h2-12H,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.407 kcal/mol

Physical Properties
Molecular Weight: 292.338 g/mol	logS: -3.98413	SlogP: 4.09642	Reactive groups: 0

Topological Properties
Globularity: 0.0653835	Sterimol/B1: 2.89153	Sterimol/B2: 3.42451	Sterimol/B3: 3.7176
Sterimol/B4: 7.26184	Sterimol/L: 15.102

Surface and Volume Properties
Accessible surface: 515.958	Positive charged surface: 299.022	Negative charged surface: 216.936	Volume: 284.25
Hydrophobic surface: 464.7	Hydrophilic surface: 51.258

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.