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MMsINC code: MMs03043488

Type: Ionized
Formula: C₂₄H₂₅N₂+

SMILES:

[NH3+]CCCCc1c2c([nH]c1-c1ccc(cc1)-c1ccccc1)cccc2

InChI:

InChI=1/C24H24N2/c25-17-7-6-11-22-21-10-4-5-12-23(21)26-24(22)20-15-13-19(14-16-20)18-8-2-1-3-9-18/h1-5,8-10,12-16,26H,6-7,11,17,25H2/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.4274 kcal/mol

Physical Properties
Molecular Weight: 341.478 g/mol	logS: -6.60188	SlogP: 5.06647	Reactive groups: 0

Topological Properties
Globularity: 0.0649266	Sterimol/B1: 3.56456	Sterimol/B2: 3.74395	Sterimol/B3: 6.43913
Sterimol/B4: 7.29802	Sterimol/L: 18.0771

Surface and Volume Properties
Accessible surface: 666.935	Positive charged surface: 441.326	Negative charged surface: 215.552	Volume: 368.25
Hydrophobic surface: 562.947	Hydrophilic surface: 103.988

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

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Parent related molecule:

MMs03043487
PUBCHEM-ZINC03690221