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MMsINC code: MMs00260414

Type: Neutral
Formula: C₂₃H₂₃NO₅

SMILES:

O1c2c(cccc2)C(=O)C(OCC(=O)N2CCCCC2)=C1c1ccc(OC)cc1

InChI:

InChI=1/C23H23NO5/c1-27-17-11-9-16(10-12-17)22-23(21(26)18-7-3-4-8-19(18)29-22)28-15-20(25)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.33 kcal/mol

Physical Properties
Molecular Weight: 393.439 g/mol	logS: -5.50601	SlogP: 3.6682	Reactive groups: 1

Topological Properties
Globularity: 0.104767	Sterimol/B1: 2.27908	Sterimol/B2: 3.47217	Sterimol/B3: 4.64538
Sterimol/B4: 10.302	Sterimol/L: 16.73

Surface and Volume Properties
Accessible surface: 662.189	Positive charged surface: 456.196	Negative charged surface: 205.992	Volume: 372.875
Hydrophobic surface: 589.906	Hydrophilic surface: 72.283

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.