MMsINC Database Search


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MMsINC code: MMs02319365

Type: Neutral
Formula: C₂₆H₂₃NO₄

SMILES:

O(C)c1cc(ccc1)CC(=O)c1c2c(n(c1)C(=O)Cc1cc(OC)ccc1)cccc2

InChI:

InChI=1/C26H23NO4/c1-30-20-9-5-7-18(13-20)15-25(28)23-17-27(24-12-4-3-11-22(23)24)26(29)16-19-8-6-10-21(14-19)31-2/h3-14,17H,15-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.613 kcal/mol

Physical Properties
Molecular Weight: 413.473 g/mol	logS: -6.02051	SlogP: 4.96674	Reactive groups: 0

Topological Properties
Globularity: 0.0533002	Sterimol/B1: 2.52965	Sterimol/B2: 3.07336	Sterimol/B3: 5.70988
Sterimol/B4: 8.95655	Sterimol/L: 21.156

Surface and Volume Properties
Accessible surface: 723.886	Positive charged surface: 463.344	Negative charged surface: 255.645	Volume: 405.125
Hydrophobic surface: 647.599	Hydrophilic surface: 76.287

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.