MMsINC Database Search


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MMsINC code: MMs02273198

Type: Neutral
Formula: C₁₀H₂₂N₂O

SMILES:

O=C(N)CN(CCCC)CCCC

InChI:

InChI=1/C10H22N2O/c1-3-5-7-12(8-6-4-2)9-10(11)13/h3-9H2,1-2H3,(H2,11,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.3349 kcal/mol

Physical Properties
Molecular Weight: 186.299 g/mol	logS: -1.85539	SlogP: 1.3739	Reactive groups: 0

Topological Properties
Globularity: 0.0855527	Sterimol/B1: 2.68519	Sterimol/B2: 2.69707	Sterimol/B3: 3.50399
Sterimol/B4: 7.88239	Sterimol/L: 13.2673

Surface and Volume Properties
Accessible surface: 452.828	Positive charged surface: 354.787	Negative charged surface: 98.041	Volume: 212.375
Hydrophobic surface: 304.767	Hydrophilic surface: 148.061

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs02273199
NCID-ZINC01626865