MMsINC Database Search


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

MMsINC code: MMs03215740

Type: Neutral
Formula: C₁₀H₁₄N₂O₂

SMILES:

O=[N+]([O-])c1cc(C)c(N(C)C)c(c1)C

InChI:

InChI=1/C10H14N2O2/c1-7-5-9(12(13)14)6-8(2)10(7)11(3)4/h5-6H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.206 kcal/mol

Physical Properties
Molecular Weight: 194.234 g/mol	logS: -2.42346	SlogP: 2.27764	Reactive groups: 0

Topological Properties
Globularity: 0.149462	Sterimol/B1: 2.05649	Sterimol/B2: 3.50126	Sterimol/B3: 3.60725
Sterimol/B4: 7.15007	Sterimol/L: 11.3565

Surface and Volume Properties
Accessible surface: 388.107	Positive charged surface: 238.981	Negative charged surface: 149.125	Volume: 190.375
Hydrophobic surface: 306.593	Hydrophilic surface: 81.514

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.