MMsINC Database Search


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MMsINC code: MMs00766661

Type: Neutral
Formula: C₁₄H₁₈N₂O₂

SMILES:

O=C(NC(=O)N1CCC(CC1)C)c1ccccc1

InChI:

InChI=1/C14H18N2O2/c1-11-7-9-16(10-8-11)14(18)15-13(17)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,15,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.4166 kcal/mol

Physical Properties
Molecular Weight: 246.31 g/mol	logS: -2.92292	SlogP: 2.2683	Reactive groups: 0

Topological Properties
Globularity: 0.0431795	Sterimol/B1: 2.50865	Sterimol/B2: 3.00939	Sterimol/B3: 4.31902
Sterimol/B4: 5.5954	Sterimol/L: 15.3552

Surface and Volume Properties
Accessible surface: 484.299	Positive charged surface: 318.124	Negative charged surface: 166.175	Volume: 248.25
Hydrophobic surface: 391.478	Hydrophilic surface: 92.821

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.