MMsINC Database Search


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

MMsINC code: MMs00480875

Type: Neutral
Formula: C₁₀H₉N

SMILES:

[nH]1cc(cc1)-c1ccccc1

InChI:

InChI=1/C10H9N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h1-8,11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.4277 kcal/mol

Physical Properties
Molecular Weight: 143.189 g/mol	logS: -2.25448	SlogP: 2.6817	Reactive groups: 0

Topological Properties
Globularity: 9.65116e-07	Sterimol/B1: 2.09907	Sterimol/B2: 2.10024	Sterimol/B3: 3.61666
Sterimol/B4: 3.65611	Sterimol/L: 11.313

Surface and Volume Properties
Accessible surface: 339.844	Positive charged surface: 173.553	Negative charged surface: 166.292	Volume: 156
Hydrophobic surface: 261.84	Hydrophilic surface: 78.004

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.