MMsINC Database Search


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MMsINC code: MMs01418506

Type: Neutral
Formula: C₁₀H₁₀N₂O₄

SMILES:

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

InChI:

InChI=1/C10H10N2O4/c11-10(15)12-8(13)6-16-9(14)7-4-2-1-3-5-7/h1-5H,6H2,(H3,11,12,13,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.5984 kcal/mol

Physical Properties
Molecular Weight: 222.2 g/mol	logS: -2.2737	SlogP: 0.0383	Reactive groups: 0

Topological Properties
Globularity: 0.00403677	Sterimol/B1: 2.37359	Sterimol/B2: 2.37552	Sterimol/B3: 3.36357
Sterimol/B4: 4.72573	Sterimol/L: 15.3978

Surface and Volume Properties
Accessible surface: 439.073	Positive charged surface: 257.406	Negative charged surface: 181.667	Volume: 197
Hydrophobic surface: 230.657	Hydrophilic surface: 208.416

Pharmacophoric Properties
Hydrogen bond donors: 2	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.