MMsINC Database Search


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MMsINC code: MMs00833731

Type: Neutral
Formula: C₁₈H₁₈N₂O₂

SMILES:

O=C1N(Cc2ccccc2)C(=O)CC1NCc1ccccc1

InChI:

InChI=1/C18H18N2O2/c21-17-11-16(19-12-14-7-3-1-4-8-14)18(22)20(17)13-15-9-5-2-6-10-15/h1-10,16,19H,11-13H2/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.971 kcal/mol

Physical Properties
Molecular Weight: 294.354 g/mol	logS: -3.37793	SlogP: 2.6367	Reactive groups: 0

Topological Properties
Globularity: 0.0661804	Sterimol/B1: 3.42106	Sterimol/B2: 3.563	Sterimol/B3: 3.94629
Sterimol/B4: 4.90822	Sterimol/L: 17.2582

Surface and Volume Properties
Accessible surface: 553.789	Positive charged surface: 325.11	Negative charged surface: 228.678	Volume: 294.125
Hydrophobic surface: 470.56	Hydrophilic surface: 83.229

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.