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MMsINC code: MMs03210922

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-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.5426 kcal/mol

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

Topological Properties
Globularity: 0.0835201	Sterimol/B1: 1.86584	Sterimol/B2: 2.70096	Sterimol/B3: 5.26486
Sterimol/B4: 7.95401	Sterimol/L: 15.5007

Surface and Volume Properties
Accessible surface: 505.411	Positive charged surface: 299.899	Negative charged surface: 205.512	Volume: 253.5
Hydrophobic surface: 264.017	Hydrophilic surface: 241.394

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

MMs03210923
PUBCHEM-ZINC05138919