MMsINC Database Search


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MMsINC code: MMs02550916

Type: Neutral
Formula: C₉H₁₈N₂

SMILES:

N1C2CC(N(C2)CC(C)C)C1

InChI:

InChI=1/C9H18N2/c1-7(2)5-11-6-8-3-9(11)4-10-8/h7-10H,3-6H2,1-2H3/t8-,9-/m1/s1


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.9407 kcal/mol

Physical Properties
Molecular Weight: 154.257 g/mol	logS: -0.48557	SlogP: 0.6885	Reactive groups: 0

Topological Properties
Globularity: 0.215432	Sterimol/B1: 2.37598	Sterimol/B2: 3.03921	Sterimol/B3: 3.91917
Sterimol/B4: 4.57617	Sterimol/L: 10.6072

Surface and Volume Properties
Accessible surface: 364.248	Positive charged surface: 299.21	Negative charged surface: 65.0372	Volume: 174.25
Hydrophobic surface: 294.754	Hydrophilic surface: 69.494

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

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Ions/Tautomers related molecules

MMs02550918
OAKWOOD-ZINC04290303