MMsINC Database Search


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MMsINC code: MMs03155871

Type: Neutral
Formula: C₁₅H₁₈N₂O₂

SMILES:

O1CCN(CC1)C(=O)Cn1c2c(cc1C)cccc2

InChI:

InChI=1/C15H18N2O2/c1-12-10-13-4-2-3-5-14(13)17(12)11-15(18)16-6-8-19-9-7-16/h2-5,10H,6-9,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.1386 kcal/mol

Physical Properties
Molecular Weight: 258.321 g/mol	logS: -2.24024	SlogP: 2.07492	Reactive groups: 0

Topological Properties
Globularity: 0.114324	Sterimol/B1: 2.20979	Sterimol/B2: 3.52723	Sterimol/B3: 3.89168
Sterimol/B4: 8.38671	Sterimol/L: 13.4687

Surface and Volume Properties
Accessible surface: 489.369	Positive charged surface: 334.083	Negative charged surface: 149.972	Volume: 258.625
Hydrophobic surface: 452.56	Hydrophilic surface: 36.809

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.