MMsINC Database Search


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

MMsINC code: MMs03154604

Type: Neutral
Formula: C₁₀H₁₄N₂O₂

SMILES:

Oc1ccc(cc1)CCCC(=O)NN

InChI:

InChI=1/C10H14N2O2/c11-12-10(14)3-1-2-8-4-6-9(13)7-5-8/h4-7,13H,1-3,11H2,(H,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.1431 kcal/mol

Physical Properties
Molecular Weight: 194.234 g/mol	logS: -1.71359	SlogP: 0.70477	Reactive groups: 0

Topological Properties
Globularity: 0.0685213	Sterimol/B1: 2.45333	Sterimol/B2: 3.26826	Sterimol/B3: 3.42236
Sterimol/B4: 4.93618	Sterimol/L: 15.1492

Surface and Volume Properties
Accessible surface: 427.426	Positive charged surface: 284.228	Negative charged surface: 143.198	Volume: 192
Hydrophobic surface: 239.356	Hydrophilic surface: 188.07

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