MMsINC Database Search


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MMsINC code: MMs00518432

Type: Neutral
Formula: C₂₃H₁₉N₃O₂

SMILES:

O=C1N(N=C(c2c1cccc2)c1ccc(cc1)C(=O)NCc1ccccc1)C

InChI:

InChI=1/C23H19N3O2/c1-26-23(28)20-10-6-5-9-19(20)21(25-26)17-11-13-18(14-12-17)22(27)24-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.941 kcal/mol

Physical Properties
Molecular Weight: 369.424 g/mol	logS: -5.76739	SlogP: 3.721	Reactive groups: 0

Topological Properties
Globularity: 0.0438933	Sterimol/B1: 2.54152	Sterimol/B2: 3.26861	Sterimol/B3: 4.37492
Sterimol/B4: 8.21525	Sterimol/L: 18.135

Surface and Volume Properties
Accessible surface: 649.586	Positive charged surface: 389.602	Negative charged surface: 259.985	Volume: 357.625
Hydrophobic surface: 550.993	Hydrophilic surface: 98.593

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.