MMsINC Database Search


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MMsINC code: MMs00506428

Type: Neutral
Formula: C₂₃H₁₈N₂O₂

SMILES:

O(C)c1ccc(NC(=O)c2cc(nc3c2cccc3)-c2ccccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.278 kcal/mol

Physical Properties
Molecular Weight: 354.409 g/mol	logS: -6.38897	SlogP: 5.1627	Reactive groups: 0

Topological Properties
Globularity: 0.0184028	Sterimol/B1: 2.52043	Sterimol/B2: 3.74171	Sterimol/B3: 5.6793
Sterimol/B4: 7.51107	Sterimol/L: 18.6819

Surface and Volume Properties
Accessible surface: 619.339	Positive charged surface: 358.843	Negative charged surface: 249.952	Volume: 347.5
Hydrophobic surface: 563.026	Hydrophilic surface: 56.313

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.