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MMsINC code: MMs03210918

Type: Neutral
Formula: C₁₃H₁₆N₂O₅

SMILES:

OC(=O)CNC(=O)C(Cc1ccccc1)CC(=O)NO

InChI:

InChI=1/C13H16N2O5/c16-11(15-20)7-10(13(19)14-8-12(17)18)6-9-4-2-1-3-5-9/h1-5,10,20H,6-8H2,(H,14,19)(H,15,16)(H,17,18)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.4232 kcal/mol

Physical Properties
Molecular Weight: 280.28 g/mol	logS: -1.30867	SlogP: -0.05843	Reactive groups: 0

Topological Properties
Globularity: 0.0831792	Sterimol/B1: 1.78054	Sterimol/B2: 4.42511	Sterimol/B3: 5.33258
Sterimol/B4: 6.15464	Sterimol/L: 15.5071

Surface and Volume Properties
Accessible surface: 505.168	Positive charged surface: 301.443	Negative charged surface: 203.725	Volume: 253.5
Hydrophobic surface: 264.145	Hydrophilic surface: 241.023

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	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

MMs03210919
PUBCHEM-ZINC05138917