MMsINC Database Search


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MMsINC code: MMs01956374

Type: Neutral
Formula: C₂₃H₂₀N₂O₃

SMILES:

O(c1ccccc1CC)c1nc(nc2c1cccc2)-c1cccc(OC)c1O

InChI:

InChI=1/C23H20N2O3/c1-3-15-9-4-7-13-19(15)28-23-16-10-5-6-12-18(16)24-22(25-23)17-11-8-14-20(27-2)21(17)26/h4-14,26H,3H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.918 kcal/mol

Physical Properties
Molecular Weight: 372.424 g/mol	logS: -7.27817	SlogP: 5.36567	Reactive groups: 0

Topological Properties
Globularity: 0.155928	Sterimol/B1: 2.32047	Sterimol/B2: 2.84755	Sterimol/B3: 6.83392
Sterimol/B4: 10.1645	Sterimol/L: 14.6383

Surface and Volume Properties
Accessible surface: 648.406	Positive charged surface: 408.361	Negative charged surface: 233.517	Volume: 362.625
Hydrophobic surface: 560.336	Hydrophilic surface: 88.07

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.