MMsINC Database Search


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MMsINC code: MMs01062917

Type: Neutral
Formula: C₁₈H₂₀N₂O₂

SMILES:

O1CCN(c2c1cccc2)CC(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C18H20N2O2/c1-14-6-8-15(9-7-14)12-19-18(21)13-20-10-11-22-17-5-3-2-4-16(17)20/h2-9H,10-13H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.545 kcal/mol

Physical Properties
Molecular Weight: 296.37 g/mol	logS: -3.9259	SlogP: 2.77662	Reactive groups: 0

Topological Properties
Globularity: 0.0434128	Sterimol/B1: 2.60406	Sterimol/B2: 4.20868	Sterimol/B3: 4.42643
Sterimol/B4: 5.76354	Sterimol/L: 17.9034

Surface and Volume Properties
Accessible surface: 571.616	Positive charged surface: 378.224	Negative charged surface: 193.392	Volume: 297.875
Hydrophobic surface: 504.822	Hydrophilic surface: 66.794

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.