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MMsINC code: MMs01601733

Type: Neutral
Formula: C₁₉H₂₃NO₅

SMILES:

O1c2c(ccc(OC)c2)C(=CC1=O)CN1CCC(CC1)C(OCC)=O

InChI:

InChI=1/C19H23NO5/c1-3-24-19(22)13-6-8-20(9-7-13)12-14-10-18(21)25-17-11-15(23-2)4-5-16(14)17/h4-5,10-11,13H,3,6-9,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.6296 kcal/mol

Physical Properties
Molecular Weight: 345.395 g/mol	logS: -3.7731	SlogP: 2.2727	Reactive groups: 0

Topological Properties
Globularity: 0.11108	Sterimol/B1: 3.77259	Sterimol/B2: 3.78399	Sterimol/B3: 4.68365
Sterimol/B4: 8.04415	Sterimol/L: 14.9108

Surface and Volume Properties
Accessible surface: 606.313	Positive charged surface: 436.244	Negative charged surface: 170.069	Volume: 328.5
Hydrophobic surface: 465.657	Hydrophilic surface: 140.656

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

MMs01601734
ENAMINE-ZINC05253928