MMsINC Database Search


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MMsINC code: MMs01611396

Type: Neutral
Formula: C₁₄H₁₈N₂O₂

SMILES:

O=C(N1CCCC1)CNC(=O)Cc1ccccc1

InChI:

InChI=1/C14H18N2O2/c17-13(10-12-6-2-1-3-7-12)15-11-14(18)16-8-4-5-9-16/h1-3,6-7H,4-5,8-11H2,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.2971 kcal/mol

Physical Properties
Molecular Weight: 246.31 g/mol	logS: -2.21144	SlogP: 0.96767	Reactive groups: 0

Topological Properties
Globularity: 0.0512501	Sterimol/B1: 2.75064	Sterimol/B2: 3.57164	Sterimol/B3: 3.80349
Sterimol/B4: 4.833	Sterimol/L: 16.7378

Surface and Volume Properties
Accessible surface: 508.625	Positive charged surface: 353.857	Negative charged surface: 154.768	Volume: 250.875
Hydrophobic surface: 424.758	Hydrophilic surface: 83.867

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.