MMsINC Database Search


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MMsINC code: MMs01770168

Type: Neutral
Formula: C₂₃H₂₂N₂O₃

SMILES:

O(C)c1cc(ccc1OC)Cn1c2c(nc1COc1ccccc1)cccc2

InChI:

InChI=1/C23H22N2O3/c1-26-21-13-12-17(14-22(21)27-2)15-25-20-11-7-6-10-19(20)24-23(25)16-28-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.033 kcal/mol

Physical Properties
Molecular Weight: 374.44 g/mol	logS: -5.21735	SlogP: 5.2136	Reactive groups: 0

Topological Properties
Globularity: 0.105915	Sterimol/B1: 2.47634	Sterimol/B2: 2.83464	Sterimol/B3: 4.81009
Sterimol/B4: 10.4351	Sterimol/L: 15.7346

Surface and Volume Properties
Accessible surface: 627.934	Positive charged surface: 417.799	Negative charged surface: 210.135	Volume: 368.375
Hydrophobic surface: 566.882	Hydrophilic surface: 61.052

Pharmacophoric Properties
Hydrogen bond donors: 0	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.