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MMsINC code: MMs01983808

Type: Neutral
Formula: C₂₃H₂₅NO₅

SMILES:

O1c2c(C=C(c3cc(OC)c(OC)cc3)C1=O)ccc(O)c2CN1CCCCC1

InChI:

InChI=1/C23H25NO5/c1-27-20-9-7-15(13-21(20)28-2)17-12-16-6-8-19(25)18(22(16)29-23(17)26)14-24-10-4-3-5-11-24/h6-9,12-13,25H,3-5,10-11,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.553 kcal/mol

Physical Properties
Molecular Weight: 395.455 g/mol	logS: -4.9129	SlogP: 4.1213	Reactive groups: 0

Topological Properties
Globularity: 0.070439	Sterimol/B1: 2.57572	Sterimol/B2: 4.93342	Sterimol/B3: 5.65448
Sterimol/B4: 5.6658	Sterimol/L: 18.2594

Surface and Volume Properties
Accessible surface: 668.306	Positive charged surface: 503.569	Negative charged surface: 164.737	Volume: 380
Hydrophobic surface: 571.482	Hydrophilic surface: 96.824

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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

MMs01983809
IFLAB-ZINC01237923