MMsINC Database Search


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MMsINC code: MMs03650442

Type: Neutral
Formula: C₂₃H₁₇N₂+

SMILES:

[n+]12cc(n(c1cccc2)-c1c2c(ccc1)cccc2)-c1ccccc1

InChI:

InChI=1/C23H17N2/c1-2-10-19(11-3-1)22-17-24-16-7-6-15-23(24)25(22)21-14-8-12-18-9-4-5-13-20(18)21/h1-17H/q+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.78 kcal/mol

Physical Properties
Molecular Weight: 321.403 g/mol	logS: -7.57383	SlogP: 5.0362	Reactive groups: 0

Topological Properties
Globularity: 0.268628	Sterimol/B1: 3.04688	Sterimol/B2: 4.95318	Sterimol/B3: 5.0674
Sterimol/B4: 8.9114	Sterimol/L: 12.6182

Surface and Volume Properties
Accessible surface: 552.686	Positive charged surface: 332.548	Negative charged surface: 216.701	Volume: 327.5
Hydrophobic surface: 512.637	Hydrophilic surface: 40.049

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.