MMsINC Database Search


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MMsINC code: MMs02388987

Type: Neutral
Formula: C₂₄H₂₀N+

SMILES:

[n+]1(ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H20N/c1-5-13-21(14-6-1)24(22-15-7-2-8-16-22,23-17-9-3-10-18-23)25-19-11-4-12-20-25/h1-20H/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=179.51 kcal/mol

Physical Properties
Molecular Weight: 322.431 g/mol	logS: -5.30006	SlogP: 5.1258	Reactive groups: 0

Topological Properties
Globularity: 0.919274	Sterimol/B1: 2.47261	Sterimol/B2: 3.76201	Sterimol/B3: 6.71507
Sterimol/B4: 9.19922	Sterimol/L: 11.6811

Surface and Volume Properties
Accessible surface: 558.099	Positive charged surface: 319.182	Negative charged surface: 238.917	Volume: 336.125
Hydrophobic surface: 552.715	Hydrophilic surface: 5.384

Pharmacophoric Properties
Hydrogen bond donors: 0	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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Ions/Tautomers related molecules: no related molecules available.