MMsINC Database Search


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MMsINC code: MMs02268614

Type: Neutral
Formula: C₂₄H₂₃N₂+

SMILES:

[n+]1(c2-c3c(N(c4cc(cc(c24)c2c1cccc2)C)CC)cccc3)CC

InChI:

InChI=1/C24H23N2/c1-4-25-21-13-9-7-11-18(21)24-23-19(14-16(3)15-22(23)25)17-10-6-8-12-20(17)26(24)5-2/h6-15H,4-5H2,1-3H3/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.457 kcal/mol

Physical Properties
Molecular Weight: 339.462 g/mol	logS: -7.35021	SlogP: 6.01362	Reactive groups: 0

Topological Properties
Globularity: 0.0825986	Sterimol/B1: 2.04495	Sterimol/B2: 3.7594	Sterimol/B3: 5.04415
Sterimol/B4: 9.41793	Sterimol/L: 14.5274

Surface and Volume Properties
Accessible surface: 573.99	Positive charged surface: 349.251	Negative charged surface: 207.306	Volume: 349.5
Hydrophobic surface: 509.898	Hydrophilic surface: 64.092

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: no related molecules available.