MMsINC Database Search


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MMsINC code: MMs02461600

Type: Neutral
Formula: C₁₂H₂₄N₂

SMILES:

N1CCCCC1CC1CCN(CC1)C

InChI:

InChI=1/C12H24N2/c1-14-8-5-11(6-9-14)10-12-4-2-3-7-13-12/h11-13H,2-10H2,1H3/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=13.1085 kcal/mol

Physical Properties
Molecular Weight: 196.338 g/mol	logS: -0.84	SlogP: 1.8604	Reactive groups: 0

Topological Properties
Globularity: 0.113256	Sterimol/B1: 2.74694	Sterimol/B2: 3.15575	Sterimol/B3: 3.56971
Sterimol/B4: 4.42376	Sterimol/L: 13.7737

Surface and Volume Properties
Accessible surface: 435.782	Positive charged surface: 392.528	Negative charged surface: 43.2544	Volume: 224.625
Hydrophobic surface: 407.882	Hydrophilic surface: 27.9

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

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

MMs02461601
NCID-ZINC05432874