MMsINC Database Search


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

MMsINC code: MMs02368165

Type: Neutral
Formula: C₁₀H₂₀N+

SMILES:

[NH3+]CC1C2CC(CC1)C2(C)C

InChI:

InChI=1/C10H19N/c1-10(2)8-4-3-7(6-11)9(10)5-8/h7-9H,3-6,11H2,1-2H3/p+1/t7-,8-,9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.3742 kcal/mol

Physical Properties
Molecular Weight: 154.277 g/mol	logS: -2.8755	SlogP: 1.3006	Reactive groups: 0

Topological Properties
Globularity: 0.315196	Sterimol/B1: 2.21566	Sterimol/B2: 2.54092	Sterimol/B3: 4.93559
Sterimol/B4: 5.54692	Sterimol/L: 10.3271

Surface and Volume Properties
Accessible surface: 361.598	Positive charged surface: 248.006	Negative charged surface: 41.1624	Volume: 183.75
Hydrophobic surface: 259.444	Hydrophilic surface: 102.154

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
Chiral centers: 3

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

MMs02368166
NCID-ZINC01762682