MMsINC Database Search


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MMsINC code: MMs01285835

Type: Neutral
Formula: C₂₆H₂₃N₂+

SMILES:

[nH+]1c2c(n(Cc3ccc(cc3)C)c1Cc1c3c(ccc1)cccc3)cccc2

InChI:

InChI=1/C26H22N2/c1-19-13-15-20(16-14-19)18-28-25-12-5-4-11-24(25)27-26(28)17-22-9-6-8-21-7-2-3-10-23(21)22/h2-16H,17-18H2,1H3/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.132 kcal/mol

Physical Properties
Molecular Weight: 363.484 g/mol	logS: -7.42865	SlogP: 5.82249	Reactive groups: 0

Topological Properties
Globularity: 0.121986	Sterimol/B1: 2.95689	Sterimol/B2: 3.1486	Sterimol/B3: 4.79879
Sterimol/B4: 8.59787	Sterimol/L: 17.5013

Surface and Volume Properties
Accessible surface: 655.83	Positive charged surface: 385.022	Negative charged surface: 263.577	Volume: 383.875
Hydrophobic surface: 628.471	Hydrophilic surface: 27.359

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

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Ions/Tautomers related molecules

MMs01285836
ENAMINE-ZINC02695667