MMsINC Database Search


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MMsINC code: MMs00335167

Type: Neutral
Formula: C₂₃H₁₈N₂O₂

SMILES:

Oc1ccccc1\C=C\C1=Nc2c(cccc2)C(=O)N1c1ccccc1C

InChI:

InChI=1/C23H18N2O2/c1-16-8-2-6-12-20(16)25-22(15-14-17-9-3-7-13-21(17)26)24-19-11-5-4-10-18(19)23(25)27/h2-15,26H,1H3/b15-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.964 kcal/mol

Physical Properties
Molecular Weight: 354.409 g/mol	logS: -5.98156	SlogP: 5.10442	Reactive groups: 0

Topological Properties
Globularity: 0.0955297	Sterimol/B1: 2.23552	Sterimol/B2: 4.68768	Sterimol/B3: 6.26691
Sterimol/B4: 7.68829	Sterimol/L: 16.2295

Surface and Volume Properties
Accessible surface: 609.297	Positive charged surface: 333.241	Negative charged surface: 276.056	Volume: 346
Hydrophobic surface: 531.904	Hydrophilic surface: 77.393

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.