MMsINC Database Search


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MMsINC code: MMs00868564

Type: Neutral
Formula: C₁₄H₂₀N₂O₃

SMILES:

O1CCN(CC1)c1ccc(NC(OCCC)=O)cc1

InChI:

InChI=1/C14H20N2O3/c1-2-9-19-14(17)15-12-3-5-13(6-4-12)16-7-10-18-11-8-16/h3-6H,2,7-11H2,1H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.258 kcal/mol

Physical Properties
Molecular Weight: 264.325 g/mol	logS: -2.41166	SlogP: 2.4817	Reactive groups: 0

Topological Properties
Globularity: 0.0251659	Sterimol/B1: 2.79745	Sterimol/B2: 3.08144	Sterimol/B3: 3.57745
Sterimol/B4: 4.77883	Sterimol/L: 18.0751

Surface and Volume Properties
Accessible surface: 520.873	Positive charged surface: 397.181	Negative charged surface: 123.692	Volume: 262.25
Hydrophobic surface: 411.506	Hydrophilic surface: 109.367

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.