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MMsINC code: MMs00024723

Type: Neutral
Formula: C₂₄H₂₈N₂+2

SMILES:

[NH2+]1CC[NH+](CC1C)C(c1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H26N2/c1-20-19-26(18-17-25-20)24(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,25H,17-19H2,1H3/p+2/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=153.743 kcal/mol

Physical Properties
Molecular Weight: 344.502 g/mol	logS: -4.98634	SlogP: 2.1404	Reactive groups: 0

Topological Properties
Globularity: 0.618521	Sterimol/B1: 5.47766	Sterimol/B2: 5.87807	Sterimol/B3: 6.00618
Sterimol/B4: 6.79103	Sterimol/L: 13.251

Surface and Volume Properties
Accessible surface: 606.095	Positive charged surface: 408.125	Negative charged surface: 197.97	Volume: 378
Hydrophobic surface: 541.035	Hydrophilic surface: 65.06

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 2
Chiral centers: 1

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

MMs00024725
ALFAAESAR-ZINC04290274