MMsINC Database Search


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MMsINC code: MMs01411180

Type: Neutral
Formula: C₂₄H₂₃NO₅

SMILES:

O(C)c1cc(OC)ccc1C(OCC(=O)NC(c1ccccc1)c1ccccc1)=O

InChI:

InChI=1/C24H23NO5/c1-28-19-13-14-20(21(15-19)29-2)24(27)30-16-22(26)25-23(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,23H,16H2,1-2H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.419 kcal/mol

Physical Properties
Molecular Weight: 405.45 g/mol	logS: -5.57574	SlogP: 3.8619	Reactive groups: 0

Topological Properties
Globularity: 0.0832315	Sterimol/B1: 3.27668	Sterimol/B2: 3.46609	Sterimol/B3: 6.63084
Sterimol/B4: 7.94861	Sterimol/L: 19.1962

Surface and Volume Properties
Accessible surface: 719.163	Positive charged surface: 475.672	Negative charged surface: 243.491	Volume: 392.875
Hydrophobic surface: 636.562	Hydrophilic surface: 82.601

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.