MMsINC Database Search


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MMsINC code: MMs03212323

Type: Neutral
Formula: C₂₃H₂₇N₂+

SMILES:

[N+](C)(C)=C1C=CC(C=C1)C(c1ccc(N(C)C)cc1)c1ccccc1

InChI:

InChI=1/C23H27N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,19,23H,1-4H3/q+1/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.315 kcal/mol

Physical Properties
Molecular Weight: 331.483 g/mol	logS: -4.82938	SlogP: 4.3398	Reactive groups: 0

Topological Properties
Globularity: 0.119924	Sterimol/B1: 2.7142	Sterimol/B2: 3.22024	Sterimol/B3: 4.66172
Sterimol/B4: 9.73281	Sterimol/L: 15.9757

Surface and Volume Properties
Accessible surface: 619.711	Positive charged surface: 476.159	Negative charged surface: 143.553	Volume: 364.25
Hydrophobic surface: 597.975	Hydrophilic surface: 21.736

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 1
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: no related molecules available.