MMsINC Database Search


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MMsINC code: MMs01544403

Type: Neutral
Formula: C₂₃H₂₁NO₅

SMILES:

O(C)c1ccccc1NC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1

InChI:

InChI=1/C23H21NO5/c1-27-21-10-6-5-9-20(21)24-22(25)16-29-23(26)18-11-13-19(14-12-18)28-15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.375 kcal/mol

Physical Properties
Molecular Weight: 391.423 g/mol	logS: -5.6317	SlogP: 4.3361	Reactive groups: 0

Topological Properties
Globularity: 0.0208695	Sterimol/B1: 2.86734	Sterimol/B2: 4.41685	Sterimol/B3: 4.42395
Sterimol/B4: 6.17319	Sterimol/L: 23.2199

Surface and Volume Properties
Accessible surface: 711.267	Positive charged surface: 444.674	Negative charged surface: 266.593	Volume: 376.875
Hydrophobic surface: 616.396	Hydrophilic surface: 94.871

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.