MMsINC Database Search


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MMsINC code: MMs02337006

Type: Neutral
Formula: C₁₁H₁₂N₂O₄

SMILES:

OC(=O)CC(NC(=O)c1ccccc1)C(=O)N

InChI:

InChI=1/C11H12N2O4/c12-10(16)8(6-9(14)15)13-11(17)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,16)(H,13,17)(H,14,15)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.8935 kcal/mol

Physical Properties
Molecular Weight: 236.227 g/mol	logS: -1.68733	SlogP: -0.255	Reactive groups: 0

Topological Properties
Globularity: 0.0987073	Sterimol/B1: 2.95362	Sterimol/B2: 3.56807	Sterimol/B3: 4.58477
Sterimol/B4: 4.80917	Sterimol/L: 12.5264

Surface and Volume Properties
Accessible surface: 443.163	Positive charged surface: 245.147	Negative charged surface: 198.016	Volume: 210.875
Hydrophobic surface: 229.731	Hydrophilic surface: 213.432

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

search links for this molecule:

Ions/Tautomers related molecules

MMs02337007
NCID-ZINC01709627