MMsINC Database Search


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MMsINC code: MMs00377134

Type: Neutral
Formula: C₂₃H₁₈N₂O₂

SMILES:

Oc1ccccc1\C=C\C1=Nc2c(cccc2)C(=O)N1c1cc(ccc1)C

InChI:

InChI=1/C23H18N2O2/c1-16-7-6-9-18(15-16)25-22(14-13-17-8-2-5-12-21(17)26)24-20-11-4-3-10-19(20)23(25)27/h2-15,26H,1H3/b14-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.694 kcal/mol

Physical Properties
Molecular Weight: 354.409 g/mol	logS: -6.29501	SlogP: 5.10442	Reactive groups: 0

Topological Properties
Globularity: 0.0875818	Sterimol/B1: 2.25562	Sterimol/B2: 2.33027	Sterimol/B3: 6.05869
Sterimol/B4: 10.4667	Sterimol/L: 16.2471

Surface and Volume Properties
Accessible surface: 617.768	Positive charged surface: 346.724	Negative charged surface: 271.044	Volume: 348.75
Hydrophobic surface: 533.933	Hydrophilic surface: 83.835

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.