MMsINC Database Search


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MMsINC code: MMs03177486

Type: Neutral
Formula: C₁₅H₂₀N₂O₃

SMILES:

O1CCN(CC1)C(=O)CCNC(=O)c1ccc(cc1)C

InChI:

InChI=1/C15H20N2O3/c1-12-2-4-13(5-3-12)15(19)16-7-6-14(18)17-8-10-20-11-9-17/h2-5H,6-11H2,1H3,(H,16,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.2383 kcal/mol

Physical Properties
Molecular Weight: 276.336 g/mol	logS: -2.24491	SlogP: 0.97372	Reactive groups: 0

Topological Properties
Globularity: 0.0192521	Sterimol/B1: 3.05879	Sterimol/B2: 3.08336	Sterimol/B3: 3.2737
Sterimol/B4: 5.52711	Sterimol/L: 18.0497

Surface and Volume Properties
Accessible surface: 539.511	Positive charged surface: 381.503	Negative charged surface: 158.008	Volume: 274.75
Hydrophobic surface: 451.582	Hydrophilic surface: 87.929

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.