MMsINC Database Search


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MMsINC code: MMs00292981

Type: Neutral
Formula: C₂₃H₁₈N₂O₂

SMILES:

Oc1ccc(cc1)\C=C\C1=Nc2c(cccc2)C(=O)N1Cc1ccccc1

InChI:

InChI=1/C23H18N2O2/c26-19-13-10-17(11-14-19)12-15-22-24-21-9-5-4-8-20(21)23(27)25(22)16-18-6-2-1-3-7-18/h1-15,26H,16H2/b15-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.8783 kcal/mol

Physical Properties
Molecular Weight: 354.409 g/mol	logS: -5.76513	SlogP: 5.058	Reactive groups: 0

Topological Properties
Globularity: 0.0740072	Sterimol/B1: 2.22087	Sterimol/B2: 2.263	Sterimol/B3: 5.33043
Sterimol/B4: 10.1883	Sterimol/L: 16.7107

Surface and Volume Properties
Accessible surface: 611.22	Positive charged surface: 331.458	Negative charged surface: 279.762	Volume: 346.125
Hydrophobic surface: 514.638	Hydrophilic surface: 96.582

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.