MMsINC Database Search


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MMsINC code: MMs01562861

Type: Neutral
Formula: C₂₂H₂₆N₂O₃

SMILES:

o1cc(c2c1cc(OC)cc2)CC(=O)Nc1ccc(N(C(C)C)CC)cc1

InChI:

InChI=1/C22H26N2O3/c1-5-24(15(2)3)18-8-6-17(7-9-18)23-22(25)12-16-14-27-21-13-19(26-4)10-11-20(16)21/h6-11,13-15H,5,12H2,1-4H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.924 kcal/mol

Physical Properties
Molecular Weight: 366.461 g/mol	logS: -5.82109	SlogP: 4.85727	Reactive groups: 0

Topological Properties
Globularity: 0.0797682	Sterimol/B1: 2.5381	Sterimol/B2: 4.91243	Sterimol/B3: 5.89105
Sterimol/B4: 6.69814	Sterimol/L: 18.4293

Surface and Volume Properties
Accessible surface: 662.397	Positive charged surface: 446.168	Negative charged surface: 212.634	Volume: 369
Hydrophobic surface: 540.78	Hydrophilic surface: 121.617

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.