MMsINC Database Search


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MMsINC code: MMs03577774

Type: Neutral
Formula: C₁₀H₂₀N₂

SMILES:

N1CCCC1C1CCCN(C1)C

InChI:

InChI=1/C10H20N2/c1-12-7-3-4-9(8-12)10-5-2-6-11-10/h9-11H,2-8H2,1H3/t9-,10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=13.6511 kcal/mol

Physical Properties
Molecular Weight: 168.284 g/mol	logS: -0.43646	SlogP: 1.0802	Reactive groups: 0

Topological Properties
Globularity: 0.0854497	Sterimol/B1: 2.41126	Sterimol/B2: 2.9579	Sterimol/B3: 2.96299
Sterimol/B4: 5.98317	Sterimol/L: 11.5255

Surface and Volume Properties
Accessible surface: 387.164	Positive charged surface: 348.142	Negative charged surface: 39.0218	Volume: 192.75
Hydrophobic surface: 362.188	Hydrophilic surface: 24.976

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

MMs03577775
PUBCHEM-ZINC06169414