MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03241596

Type: Neutral
Formula: C₁₀H₁₀N₂O₂

SMILES:

O=[N+]([O-])c1cc2c(n(cc2C)C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.9905 kcal/mol

Physical Properties
Molecular Weight: 190.202 g/mol	logS: -2.51949	SlogP: 2.75412	Reactive groups: 0

Topological Properties
Globularity: 0.0237319	Sterimol/B1: 1.969	Sterimol/B2: 2.51182	Sterimol/B3: 2.51791
Sterimol/B4: 7.19848	Sterimol/L: 11.4357

Surface and Volume Properties
Accessible surface: 384.161	Positive charged surface: 201.143	Negative charged surface: 177.212	Volume: 179.25
Hydrophobic surface: 285.112	Hydrophilic surface: 99.049

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.