MMsINC Database Search


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MMsINC code: MMs01177688

Type: Neutral
Formula: C₂₆H₂₂N₂O₃

SMILES:

O1CCOc2c1cc(cc2)CN(C(=O)c1nccc2c1cccc2)Cc1ccccc1

InChI:

InChI=1/C26H22N2O3/c29-26(25-22-9-5-4-8-21(22)12-13-27-25)28(17-19-6-2-1-3-7-19)18-20-10-11-23-24(16-20)31-15-14-30-23/h1-13,16H,14-15,17-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.024 kcal/mol

Physical Properties
Molecular Weight: 410.473 g/mol	logS: -5.98308	SlogP: 5.3814	Reactive groups: 0

Topological Properties
Globularity: 0.111292	Sterimol/B1: 2.79401	Sterimol/B2: 3.87967	Sterimol/B3: 4.48196
Sterimol/B4: 8.66749	Sterimol/L: 17.6561

Surface and Volume Properties
Accessible surface: 642.368	Positive charged surface: 418.486	Negative charged surface: 218.967	Volume: 397.625
Hydrophobic surface: 577.794	Hydrophilic surface: 64.574

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: 0

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Ions/Tautomers related molecules: no related molecules available.