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MMsINC code: MMs02839481

Type: Ionized
Formula: C₁₀H₂₀N+

SMILES:

[NH+](C(CC1CCC=C1)C)(C)C

InChI:

InChI=1/C10H19N/c1-9(11(2)3)8-10-6-4-5-7-10/h4,6,9-10H,5,7-8H2,1-3H3/p+1/t9-,10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.3611 kcal/mol

Physical Properties
Molecular Weight: 154.277 g/mol	logS: -1.11475	SlogP: 0.8757	Reactive groups: 0

Topological Properties
Globularity: 0.209262	Sterimol/B1: 2.17727	Sterimol/B2: 2.30196	Sterimol/B3: 4.95904
Sterimol/B4: 5.1365	Sterimol/L: 11.2376

Surface and Volume Properties
Accessible surface: 385.907	Positive charged surface: 318.764	Negative charged surface: 67.1424	Volume: 190.5
Hydrophobic surface: 295.625	Hydrophilic surface: 90.282

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

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:

Parent related molecule:

MMs02839480
PUBCHEM-ZINC01996489