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MMsINC code: MMs03105369

Type: Neutral
Formula: C₁₃H₂₀N₂

SMILES:

N1CCCC1c1ccccc1CN(C)C

InChI:

InChI=1/C13H20N2/c1-15(2)10-11-6-3-4-7-12(11)13-8-5-9-14-13/h3-4,6-7,13-14H,5,8-10H2,1-2H3/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.7812 kcal/mol

Physical Properties
Molecular Weight: 204.317 g/mol	logS: -1.54921	SlogP: 2.5346	Reactive groups: 0

Topological Properties
Globularity: 0.180533	Sterimol/B1: 2.03702	Sterimol/B2: 3.23021	Sterimol/B3: 3.40522
Sterimol/B4: 8.6083	Sterimol/L: 11.1407

Surface and Volume Properties
Accessible surface: 437.749	Positive charged surface: 358.164	Negative charged surface: 79.5855	Volume: 229.5
Hydrophobic surface: 408.31	Hydrophilic surface: 29.439

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03105370
PUBCHEM-ZINC04234792