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MMsINC code: MMs00483641

Type: Neutral
Formula: C₁₄H₂₀N₂O₄

SMILES:

O(Cc1ccccc1)C(=O)NCCCC(N)C(OC)=O

InChI:

InChI=1/C14H20N2O4/c1-19-13(17)12(15)8-5-9-16-14(18)20-10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10,15H2,1H3,(H,16,18)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.8224 kcal/mol

Physical Properties
Molecular Weight: 280.324 g/mol	logS: -2.1109	SlogP: 1.4597	Reactive groups: 0

Topological Properties
Globularity: 0.0350922	Sterimol/B1: 2.43552	Sterimol/B2: 3.42664	Sterimol/B3: 3.68033
Sterimol/B4: 5.44648	Sterimol/L: 19.7319

Surface and Volume Properties
Accessible surface: 583.544	Positive charged surface: 416.282	Negative charged surface: 167.262	Volume: 273.75
Hydrophobic surface: 421.977	Hydrophilic surface: 161.567

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.