MMsINC Database Search


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MMsINC code: MMs02211537

Type: Neutral
Formula: C₂₃H₁₉N₃O₂

SMILES:

O(C(=O)c1[nH]c2c(cccc2)c1\C=N\N(c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C23H19N3O2/c1-28-23(27)22-20(19-14-8-9-15-21(19)25-22)16-24-26(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-16,25H,1H3/b24-16+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.299 kcal/mol

Physical Properties
Molecular Weight: 369.424 g/mol	logS: -5.7309	SlogP: 5.1267	Reactive groups: 0

Topological Properties
Globularity: 0.0410193	Sterimol/B1: 2.47483	Sterimol/B2: 3.09285	Sterimol/B3: 3.73115
Sterimol/B4: 11.9203	Sterimol/L: 16.1975

Surface and Volume Properties
Accessible surface: 626.314	Positive charged surface: 375.382	Negative charged surface: 244.951	Volume: 361.875
Hydrophobic surface: 564.625	Hydrophilic surface: 61.689

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.