MMsINC Database Search


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

MMsINC code: MMs00010829

Type: Neutral
Formula: C₁₀H₁₅N

SMILES:

N(CC)(CC)c1ccccc1

InChI:

InChI=1/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.8491 kcal/mol

Physical Properties
Molecular Weight: 149.237 g/mol	logS: -1.96671	SlogP: 2.5328	Reactive groups: 0

Topological Properties
Globularity: 0.137468	Sterimol/B1: 2.24432	Sterimol/B2: 2.35919	Sterimol/B3: 3.64168
Sterimol/B4: 6.61383	Sterimol/L: 9.89866

Surface and Volume Properties
Accessible surface: 362.233	Positive charged surface: 241.461	Negative charged surface: 120.772	Volume: 173.375
Hydrophobic surface: 305.06	Hydrophilic surface: 57.173

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.