MMsINC Database Search


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MMsINC code: MMs02201987

Type: Ionized
Formula: C₁₀H₉N₂O₄-

SMILES:

O=C([O-])c1ccccc1NC(=O)C(=O)NC

InChI:

InChI=1/C10H10N2O4/c1-11-8(13)9(14)12-7-5-3-2-4-6(7)10(15)16/h2-5H,1H3,(H,11,13)(H,12,14)(H,15,16)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.0112 kcal/mol

Physical Properties
Molecular Weight: 221.192 g/mol	logS: -1.98939	SlogP: -1.2654	Reactive groups: 0

Topological Properties
Globularity: 0.00594429	Sterimol/B1: 2.37074	Sterimol/B2: 2.37983	Sterimol/B3: 4.35132
Sterimol/B4: 5.01861	Sterimol/L: 13.503

Surface and Volume Properties
Accessible surface: 412.906	Positive charged surface: 241.326	Negative charged surface: 171.58	Volume: 195.25
Hydrophobic surface: 241.928	Hydrophilic surface: 170.978

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs02201986
NANOSIN-ZINC02030207