MMsINC Database Search


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MMsINC code: MMs01555873

Type: Neutral
Formula: C₂₃H₂₃NO₅

SMILES:

O(C)c1cc2c(cc1C(OC(C(=O)NCc1ccc(OC)cc1)C)=O)cccc2

InChI:

InChI=1/C23H23NO5/c1-15(22(25)24-14-16-8-10-19(27-2)11-9-16)29-23(26)20-12-17-6-4-5-7-18(17)13-21(20)28-3/h4-13,15H,14H2,1-3H3,(H,24,25)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.345 kcal/mol

Physical Properties
Molecular Weight: 393.439 g/mol	logS: -6.01293	SlogP: 3.9851	Reactive groups: 0

Topological Properties
Globularity: 0.0334444	Sterimol/B1: 2.05078	Sterimol/B2: 5.49851	Sterimol/B3: 6.08766
Sterimol/B4: 6.18415	Sterimol/L: 22.2791

Surface and Volume Properties
Accessible surface: 712.128	Positive charged surface: 467.771	Negative charged surface: 234	Volume: 380.5
Hydrophobic surface: 604.346	Hydrophilic surface: 107.782

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.