MMsINC Database Search


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MMsINC code: MMs00593198

Type: Neutral
Formula: C₁₃H₁₆N₂O₄

SMILES:

O1CCN(CC1)C(=O)c1ccccc1NC(OC)=O

InChI:

InChI=1/C13H16N2O4/c1-18-13(17)14-11-5-3-2-4-10(11)12(16)15-6-8-19-9-7-15/h2-5H,6-9H2,1H3,(H,14,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.2328 kcal/mol

Physical Properties
Molecular Weight: 264.281 g/mol	logS: -1.99541	SlogP: 1.3373	Reactive groups: 0

Topological Properties
Globularity: 0.101172	Sterimol/B1: 2.53066	Sterimol/B2: 3.62075	Sterimol/B3: 3.84481
Sterimol/B4: 8.04333	Sterimol/L: 12.8537

Surface and Volume Properties
Accessible surface: 481.178	Positive charged surface: 361.528	Negative charged surface: 119.649	Volume: 243.75
Hydrophobic surface: 390.129	Hydrophilic surface: 91.049

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.