MMsINC Database Search


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MMsINC code: MMs03301781

Type: Neutral
Formula: C₂₀H₂₄N₄+2

SMILES:

[n+]1(ccccc1N)Cc1cc(C)c(cc1C)C[n+]1ccccc1N

InChI:

InChI=1/C20H22N4/c1-15-11-18(14-24-10-6-4-8-20(24)22)16(2)12-17(15)13-23-9-5-3-7-19(23)21/h3-12,21-22H,13-14H2,1-2H3/p+2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.837 kcal/mol

Physical Properties
Molecular Weight: 320.44 g/mol	logS: -3.15576	SlogP: 2.67224	Reactive groups: 0

Topological Properties
Globularity: 0.135213	Sterimol/B1: 2.5644	Sterimol/B2: 2.86078	Sterimol/B3: 5.36518
Sterimol/B4: 7.41832	Sterimol/L: 14.4954

Surface and Volume Properties
Accessible surface: 567.648	Positive charged surface: 383.054	Negative charged surface: 184.595	Volume: 330.625
Hydrophobic surface: 441.239	Hydrophilic surface: 126.409

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 4
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.