MMsINC Database Search


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MMsINC code: MMs00188006

Type: Neutral
Formula: C₁₅H₂₀N₂O₂

SMILES:

O=C(N1CCC(CC1)C)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C15H20N2O2/c1-11-7-9-17(10-8-11)15(19)13-3-5-14(6-4-13)16-12(2)18/h3-6,11H,7-10H2,1-2H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.9988 kcal/mol

Physical Properties
Molecular Weight: 260.337 g/mol	logS: -2.90384	SlogP: 2.5171	Reactive groups: 0

Topological Properties
Globularity: 0.0518639	Sterimol/B1: 2.51605	Sterimol/B2: 2.56807	Sterimol/B3: 4.24669
Sterimol/B4: 5.8862	Sterimol/L: 16.6904

Surface and Volume Properties
Accessible surface: 504.857	Positive charged surface: 346.345	Negative charged surface: 158.512	Volume: 260.375
Hydrophobic surface: 398.483	Hydrophilic surface: 106.374

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.