MMsINC Database Search


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MMsINC code: MMs01387044

Type: Neutral
Formula: C₂₃H₂₄N₂O₄

SMILES:

O(C)c1ccccc1CNC(=O)COC(=O)c1c2c(nc(CC)c1C)cccc2

InChI:

InChI=1/C23H24N2O4/c1-4-18-15(2)22(17-10-6-7-11-19(17)25-18)23(27)29-14-21(26)24-13-16-9-5-8-12-20(16)28-3/h5-12H,4,13-14H2,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.1165 kcal/mol

Physical Properties
Molecular Weight: 392.455 g/mol	logS: -5.02163	SlogP: 3.85379	Reactive groups: 0

Topological Properties
Globularity: 0.0345543	Sterimol/B1: 2.24643	Sterimol/B2: 2.37349	Sterimol/B3: 5.37293
Sterimol/B4: 8.94107	Sterimol/L: 18.9472

Surface and Volume Properties
Accessible surface: 710.736	Positive charged surface: 451.082	Negative charged surface: 254.475	Volume: 382.25
Hydrophobic surface: 587.714	Hydrophilic surface: 123.022

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.