MMsINC Database Search


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MMsINC code: MMs00010249

Type: Neutral
Formula: C₁₈H₂₀N₂O₂

SMILES:

O=C(C(=O)c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1

InChI:

InChI=1/C18H20N2O2/c1-19(2)15-9-5-13(6-10-15)17(21)18(22)14-7-11-16(12-8-14)20(3)4/h5-12H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.792 kcal/mol

Physical Properties
Molecular Weight: 296.37 g/mol	logS: -3.64386	SlogP: 2.8842	Reactive groups: 1

Topological Properties
Globularity: 0.0910092	Sterimol/B1: 2.96619	Sterimol/B2: 4.04521	Sterimol/B3: 5.30128
Sterimol/B4: 5.34374	Sterimol/L: 17.2267

Surface and Volume Properties
Accessible surface: 556.661	Positive charged surface: 395.903	Negative charged surface: 160.759	Volume: 302
Hydrophobic surface: 492.99	Hydrophilic surface: 63.671

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.