MMsINC Database Search


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MMsINC code: MMs00231594

Type: Neutral
Formula: C₂₃H₁₈N₂O₂

SMILES:

Oc1c2ncccc2ccc1C(NC(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H18N2O2/c26-22-19(14-13-17-12-7-15-24-21(17)22)20(16-8-3-1-4-9-16)25-23(27)18-10-5-2-6-11-18/h1-15,20,26H,(H,25,27)/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.056 kcal/mol

Physical Properties
Molecular Weight: 354.409 g/mol	logS: -5.2934	SlogP: 4.5553	Reactive groups: 0

Topological Properties
Globularity: 0.139725	Sterimol/B1: 2.43582	Sterimol/B2: 3.17665	Sterimol/B3: 5.53858
Sterimol/B4: 8.92311	Sterimol/L: 16.4481

Surface and Volume Properties
Accessible surface: 604.986	Positive charged surface: 342.574	Negative charged surface: 257.795	Volume: 346.875
Hydrophobic surface: 522.191	Hydrophilic surface: 82.795

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.