MMsINC Database Search


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MMsINC code: MMs03215319

Type: Neutral
Formula: C₂₄H₂₆N₃+

SMILES:

[n+]1(c2cc(N(C)C)ccc2c2c(cc(N(C)C)cc2)c1-c1ccccc1)C

InChI:

InChI=1/C24H26N3/c1-25(2)18-11-13-20-21-14-12-19(26(3)4)16-23(21)27(5)24(22(20)15-18)17-9-7-6-8-10-17/h6-16H,1-5H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=180.205 kcal/mol

Physical Properties
Molecular Weight: 356.493 g/mol	logS: -5.97092	SlogP: 4.9757	Reactive groups: 0

Topological Properties
Globularity: 0.0322519	Sterimol/B1: 3.2481	Sterimol/B2: 3.28387	Sterimol/B3: 4.20941
Sterimol/B4: 8.13713	Sterimol/L: 15.85

Surface and Volume Properties
Accessible surface: 622.354	Positive charged surface: 471.428	Negative charged surface: 136.236	Volume: 373.5
Hydrophobic surface: 596.304	Hydrophilic surface: 26.05

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.