MMsINC Database Search


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MMsINC code: MMs02295939

Type: Neutral
Formula: C₁₂H₂₈N₄

SMILES:

N(CCN1CCN(CC1)CCN(C)C)(C)C

InChI:

InChI=1/C12H28N4/c1-13(2)5-7-15-9-11-16(12-10-15)8-6-14(3)4/h5-12H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0206 kcal/mol

Physical Properties
Molecular Weight: 228.384 g/mol	logS: 0.66906	SlogP: -0.2728	Reactive groups: 0

Topological Properties
Globularity: 0.0317686	Sterimol/B1: 2.36577	Sterimol/B2: 2.98246	Sterimol/B3: 3.06791
Sterimol/B4: 5.92273	Sterimol/L: 16.3488

Surface and Volume Properties
Accessible surface: 512.313	Positive charged surface: 503.848	Negative charged surface: 8.46541	Volume: 263
Hydrophobic surface: 503.848	Hydrophilic surface: 8.465

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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

MMs02295941
NCID-ZINC01657859