MMsINC Database Search


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MMsINC code: MMs02465409

Type: Neutral
Formula: C₁₀H₁₀N₂O₅

SMILES:

Oc1ccc(cc1)C(=O)C\C(=N/O)\C(=O)NO

InChI:

InChI=1/C10H10N2O5/c13-7-3-1-6(2-4-7)9(14)5-8(11-16)10(15)12-17/h1-4,13,16-17H,5H2,(H,12,15)/b11-8-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.53 kcal/mol

Physical Properties
Molecular Weight: 238.199 g/mol	logS: -1.43828	SlogP: 0.3006	Reactive groups: 0

Topological Properties
Globularity: 0.0077398	Sterimol/B1: 2.36174	Sterimol/B2: 2.38703	Sterimol/B3: 3.5393
Sterimol/B4: 5.81417	Sterimol/L: 13.7585

Surface and Volume Properties
Accessible surface: 435.953	Positive charged surface: 252.961	Negative charged surface: 182.992	Volume: 202
Hydrophobic surface: 172.124	Hydrophilic surface: 263.829

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	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.