MMsINC Database Search


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MMsINC code: MMs00018324

Type: Neutral
Formula: C₁₂H₃₀N₆

SMILES:

N1CCNCCNCCNCCNCCNCC1

InChI:

InChI=1/C12H30N6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h13-18H,1-12H2


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.4542 kcal/mol

Physical Properties
Molecular Weight: 258.414 g/mol	logS: 1.65898	SlogP: -2.4624	Reactive groups: 0

Topological Properties
Globularity: 0.103074	Sterimol/B1: 2.34982	Sterimol/B2: 3.18785	Sterimol/B3: 4.81072
Sterimol/B4: 7.27498	Sterimol/L: 11.6808

Surface and Volume Properties
Accessible surface: 524.457	Positive charged surface: 504.416	Negative charged surface: 20.0415	Volume: 283.25
Hydrophobic surface: 407.909	Hydrophilic surface: 116.548

Pharmacophoric Properties
Hydrogen bond donors: 6	Hydrogen bond acceptors: 6	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs00018326
ACROSORGANICS-ZINC04521549