MMsINC Database Search


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MMsINC code: MMs02230079

Type: Neutral
Formula: C₁₀H₁₀N₂O₂

SMILES:

O=[N+]([O-])c1cc2[nH]c(C)c(c2cc1)C

InChI:

InChI=1/C10H10N2O2/c1-6-7(2)11-10-5-8(12(13)14)3-4-9(6)10/h3-5,11H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.6007 kcal/mol

Physical Properties
Molecular Weight: 190.202 g/mol	logS: -2.93887	SlogP: 2.69294	Reactive groups: 0

Topological Properties
Globularity: 0.0180102	Sterimol/B1: 2.30568	Sterimol/B2: 2.5118	Sterimol/B3: 2.52059
Sterimol/B4: 5.59891	Sterimol/L: 12.171

Surface and Volume Properties
Accessible surface: 381.916	Positive charged surface: 185.359	Negative charged surface: 190.752	Volume: 178.875
Hydrophobic surface: 272.678	Hydrophilic surface: 109.238

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.