MMsINC Database Search


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MMsINC code: MMs02300061

Type: Neutral
Formula: C₁₈H₂₀N₂O₂

SMILES:

OC1CN(Cc2ccccc2)C(=O)N(C1)Cc1ccccc1

InChI:

InChI=1/C18H20N2O2/c21-17-13-19(11-15-7-3-1-4-8-15)18(22)20(14-17)12-16-9-5-2-6-10-16/h1-10,17,21H,11-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.5596 kcal/mol

Physical Properties
Molecular Weight: 296.37 g/mol	logS: -2.87445	SlogP: 3.0181	Reactive groups: 0

Topological Properties
Globularity: 0.1023	Sterimol/B1: 3.17357	Sterimol/B2: 3.34723	Sterimol/B3: 4.62416
Sterimol/B4: 6.69088	Sterimol/L: 15.4423

Surface and Volume Properties
Accessible surface: 539.592	Positive charged surface: 351.943	Negative charged surface: 187.649	Volume: 300.375
Hydrophobic surface: 460.903	Hydrophilic surface: 78.689

Pharmacophoric Properties
Hydrogen bond donors: 1	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.