MMsINC Database Search


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MMsINC code: MMs00463755

Type: Neutral
Formula: C₁₉H₁₈N₂O₂

SMILES:

O=C1N(CC(=O)N2C1Cc1c(C2)cccc1)Cc1ccccc1

InChI:

InChI=1/C19H18N2O2/c22-18-13-20(11-14-6-2-1-3-7-14)19(23)17-10-15-8-4-5-9-16(15)12-21(17)18/h1-9,17H,10-13H2/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.519 kcal/mol

Physical Properties
Molecular Weight: 306.365 g/mol	logS: -3.59221	SlogP: 2.51507	Reactive groups: 0

Topological Properties
Globularity: 0.111179	Sterimol/B1: 2.80432	Sterimol/B2: 2.90921	Sterimol/B3: 5.2391
Sterimol/B4: 6.59271	Sterimol/L: 14.6733

Surface and Volume Properties
Accessible surface: 529.307	Positive charged surface: 324.071	Negative charged surface: 205.236	Volume: 296.25
Hydrophobic surface: 447.627	Hydrophilic surface: 81.68

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.