MMsINC Database Search


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

MMsINC code: MMs00009380

Type: Neutral
Formula: C₉H₁₃N

SMILES:

N(C)(C)c1ccccc1C

InChI:

InChI=1/C9H13N/c1-8-6-4-5-7-9(8)10(2)3/h4-7H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.6297 kcal/mol

Physical Properties
Molecular Weight: 135.21 g/mol	logS: -1.47276	SlogP: 2.06102	Reactive groups: 0

Topological Properties
Globularity: 0.218386	Sterimol/B1: 2.02705	Sterimol/B2: 3.54835	Sterimol/B3: 3.59858
Sterimol/B4: 6.72909	Sterimol/L: 9.69268

Surface and Volume Properties
Accessible surface: 340.931	Positive charged surface: 250.916	Negative charged surface: 90.0155	Volume: 157.875
Hydrophobic surface: 340.831	Hydrophilic surface: 0.099999999999966

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.