MMsINC Database Search


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MMsINC code: MMs00359183

Type: Neutral
Formula: C₁₄H₂₀N₂O₃

SMILES:

O(CCCNC(=O)C(=O)NCCc1ccccc1)C

InChI:

InChI=1/C14H20N2O3/c1-19-11-5-9-15-13(17)14(18)16-10-8-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,15,17)(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.2914 kcal/mol

Physical Properties
Molecular Weight: 264.325 g/mol	logS: -2.10946	SlogP: 0.49797	Reactive groups: 0

Topological Properties
Globularity: 0.0276958	Sterimol/B1: 2.65328	Sterimol/B2: 3.62244	Sterimol/B3: 3.6277
Sterimol/B4: 3.92064	Sterimol/L: 20.6104

Surface and Volume Properties
Accessible surface: 559.16	Positive charged surface: 399.153	Negative charged surface: 160.007	Volume: 266.75
Hydrophobic surface: 448.737	Hydrophilic surface: 110.423

Pharmacophoric Properties
Hydrogen bond donors: 2	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.