MMsINC Database Search


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MMsINC code: MMs03336083

Type: Neutral
Formula: C₂₃H₁₉N₃O₂

SMILES:

Oc1n(c2c(cccc2)c1N=NC(=O)c1ccccc1)CCc1ccccc1

InChI:

InChI=1/C23H19N3O2/c27-22(18-11-5-2-6-12-18)25-24-21-19-13-7-8-14-20(19)26(23(21)28)16-15-17-9-3-1-4-10-17/h1-14,28H,15-16H2/b25-24+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.798 kcal/mol

Physical Properties
Molecular Weight: 369.424 g/mol	logS: -5.57162	SlogP: 5.78007	Reactive groups: 0

Topological Properties
Globularity: 0.0113644	Sterimol/B1: 2.71882	Sterimol/B2: 2.76959	Sterimol/B3: 2.97703
Sterimol/B4: 10.9266	Sterimol/L: 18.551

Surface and Volume Properties
Accessible surface: 651.847	Positive charged surface: 337.74	Negative charged surface: 309.368	Volume: 362.125
Hydrophobic surface: 582.094	Hydrophilic surface: 69.753

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
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.