MMsINC Database Search


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MMsINC code: MMs02355783

Type: Neutral
Formula: C₁₂H₂₃N₃

SMILES:

N=C(N1CCCCC1)CN1CCCCC1

InChI:

InChI=1/C12H23N3/c13-12(15-9-5-2-6-10-15)11-14-7-3-1-4-8-14/h13H,1-11H2/b13-12-


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.1055 kcal/mol

Physical Properties
Molecular Weight: 209.337 g/mol	logS: -1.26407	SlogP: 1.93547	Reactive groups: 1

Topological Properties
Globularity: 0.0819782	Sterimol/B1: 2.76067	Sterimol/B2: 3.24202	Sterimol/B3: 3.86881
Sterimol/B4: 3.95993	Sterimol/L: 13.698

Surface and Volume Properties
Accessible surface: 448.205	Positive charged surface: 384.842	Negative charged surface: 63.3635	Volume: 231.75
Hydrophobic surface: 400.112	Hydrophilic surface: 48.093

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

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Ions/Tautomers related molecules

MMs02355785
NCID-ZINC01733271