MMsINC Database Search


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

MMsINC code: MMs00489123

Type: Neutral
Formula: C₁₀H₁₄N₂O₂

SMILES:

OC(C(=O)NNc1ccccc1)(C)C

InChI:

InChI=1/C10H14N2O2/c1-10(2,14)9(13)12-11-8-6-4-3-5-7-8/h3-7,11,14H,1-2H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.106 kcal/mol

Physical Properties
Molecular Weight: 194.234 g/mol	logS: -1.73614	SlogP: 0.9006	Reactive groups: 0

Topological Properties
Globularity: 0.061493	Sterimol/B1: 2.17048	Sterimol/B2: 3.18802	Sterimol/B3: 4.47524
Sterimol/B4: 4.63987	Sterimol/L: 13.4194

Surface and Volume Properties
Accessible surface: 424.272	Positive charged surface: 248.573	Negative charged surface: 175.7	Volume: 194.375
Hydrophobic surface: 297.933	Hydrophilic surface: 126.339

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	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.