MMsINC Database Search


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MMsINC code: MMs01221992

Type: Neutral
Formula: C₁₈H₂₀N₂O₂

SMILES:

O=C(Nc1c(cc(cc1C)C)C)c1ccc(NC(=O)C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.7073 kcal/mol

Physical Properties
Molecular Weight: 296.37 g/mol	logS: -4.35918	SlogP: 3.82256	Reactive groups: 0

Topological Properties
Globularity: 0.0360048	Sterimol/B1: 2.93034	Sterimol/B2: 3.63997	Sterimol/B3: 4.2155
Sterimol/B4: 5.05231	Sterimol/L: 18.3157

Surface and Volume Properties
Accessible surface: 563.215	Positive charged surface: 338.084	Negative charged surface: 225.13	Volume: 299.25
Hydrophobic surface: 489.059	Hydrophilic surface: 74.156

Pharmacophoric Properties
Hydrogen bond donors: 2	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.