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MMsINC code: MMs01920298

Type: Neutral
Formula: C₁₉H₁₉NO₄

SMILES:

O1c2c(-c3c(cc(OC)cc3)C1=O)ccc(O)c2CN1CCCC1

InChI:

InChI=1/C19H19NO4/c1-23-12-4-5-13-14-6-7-17(21)16(11-20-8-2-3-9-20)18(14)24-19(22)15(13)10-12/h4-7,10,21H,2-3,8-9,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.0464 kcal/mol

Physical Properties
Molecular Weight: 325.364 g/mol	logS: -4.80382	SlogP: 3.4626	Reactive groups: 0

Topological Properties
Globularity: 0.044814	Sterimol/B1: 3.50851	Sterimol/B2: 3.85375	Sterimol/B3: 3.8571
Sterimol/B4: 6.23086	Sterimol/L: 17.0988

Surface and Volume Properties
Accessible surface: 553.315	Positive charged surface: 377.473	Negative charged surface: 164.161	Volume: 306.625
Hydrophobic surface: 455.296	Hydrophilic surface: 98.019

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

MMs01920299
IBS-ZINC05060212