MMsINC Database Search


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MMsINC code: MMs00166252

Type: Neutral
Formula: C₂₂H₂₆N₂O₄

SMILES:

O(C)c1cc(ccc1OC)C(=O)N1CCC(CC1)C(=O)Nc1ccccc1C

InChI:

InChI=1/C22H26N2O4/c1-15-6-4-5-7-18(15)23-21(25)16-10-12-24(13-11-16)22(26)17-8-9-19(27-2)20(14-17)28-3/h4-9,14,16H,10-13H2,1-3H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.08 kcal/mol

Physical Properties
Molecular Weight: 382.46 g/mol	logS: -3.99154	SlogP: 3.50312	Reactive groups: 0

Topological Properties
Globularity: 0.088922	Sterimol/B1: 3.01072	Sterimol/B2: 4.03759	Sterimol/B3: 5.38043
Sterimol/B4: 6.50893	Sterimol/L: 18.8593

Surface and Volume Properties
Accessible surface: 666.665	Positive charged surface: 478.959	Negative charged surface: 187.707	Volume: 372.125
Hydrophobic surface: 590.203	Hydrophilic surface: 76.462

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.