MMsINC Database Search


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MMsINC code: MMs00203000

Type: Neutral
Formula: C₂₃H₁₈N₂O₂

SMILES:

O(c1ccc(NC(=O)c2cc(nc3c2cccc3)C)cc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.529 kcal/mol

Physical Properties
Molecular Weight: 354.409 g/mol	logS: -6.03951	SlogP: 5.58782	Reactive groups: 0

Topological Properties
Globularity: 0.0511444	Sterimol/B1: 2.15898	Sterimol/B2: 3.6861	Sterimol/B3: 4.48373
Sterimol/B4: 8.83743	Sterimol/L: 18.9019

Surface and Volume Properties
Accessible surface: 632.58	Positive charged surface: 355.257	Negative charged surface: 272.403	Volume: 345.5
Hydrophobic surface: 587.953	Hydrophilic surface: 44.627

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.