MMsINC Database Search


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MMsINC code: MMs00921203

Type: Neutral
Formula: C₂₃H₁₈N₂O₂

SMILES:

Oc1cc(ccc1)\C=C\C1=Nc2c(cccc2)C(=O)N1c1ccc(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.305 kcal/mol

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

Topological Properties
Globularity: 0.0493333	Sterimol/B1: 2.37622	Sterimol/B2: 3.61021	Sterimol/B3: 3.64011
Sterimol/B4: 11.587	Sterimol/L: 16.2452

Surface and Volume Properties
Accessible surface: 621.876	Positive charged surface: 350.598	Negative charged surface: 271.278	Volume: 348.75
Hydrophobic surface: 530.151	Hydrophilic surface: 91.725

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.