MMsINC Database Search


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MMsINC code: MMs00733342

Type: Neutral
Formula: C₂₃H₂₄N₂O₄

SMILES:

O1CCN(CC1)C(=O)C(=O)c1c2c(n(c1)CCOc1ccccc1C)cccc2

InChI:

InChI=1/C23H24N2O4/c1-17-6-2-5-9-21(17)29-15-12-25-16-19(18-7-3-4-8-20(18)25)22(26)23(27)24-10-13-28-14-11-24/h2-9,16H,10-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.068 kcal/mol

Physical Properties
Molecular Weight: 392.455 g/mol	logS: -4.23695	SlogP: 3.33662	Reactive groups: 0

Topological Properties
Globularity: 0.0842284	Sterimol/B1: 2.03451	Sterimol/B2: 4.31227	Sterimol/B3: 6.60298
Sterimol/B4: 8.3056	Sterimol/L: 17.8255

Surface and Volume Properties
Accessible surface: 685.671	Positive charged surface: 457.912	Negative charged surface: 221.758	Volume: 381.125
Hydrophobic surface: 614.695	Hydrophilic surface: 70.976

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.