MMsINC Database Search


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MMsINC code: MMs02354714

Type: Neutral
Formula: C₁₂H₂₄N₄+2

SMILES:

[N+](N)(Cc1ccc(cc1)C[N+](N)(C)C)(C)C

InChI:

InChI=1/C12H24N4/c1-15(2,13)9-11-5-7-12(8-6-11)10-16(3,4)14/h5-8H,9-10,13-14H2,1-4H3/q+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=164.575 kcal/mol

Physical Properties
Molecular Weight: 224.352 g/mol	logS: -1.03886	SlogP: 1.1196	Reactive groups: 0

Topological Properties
Globularity: 0.0873566	Sterimol/B1: 2.41687	Sterimol/B2: 2.51482	Sterimol/B3: 4.00494
Sterimol/B4: 4.81937	Sterimol/L: 13.9979

Surface and Volume Properties
Accessible surface: 456.104	Positive charged surface: 394.342	Negative charged surface: 61.7623	Volume: 247.875
Hydrophobic surface: 274.932	Hydrophilic surface: 181.172

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 2
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: no related molecules available.