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MMsINC code: MMs00634869

Type: Neutral
Formula: C₁₉H₂₁NO₄

SMILES:

O(C)c1ccc(cc1C)CCCC(=O)Nc1ccc(cc1)C(O)=O

InChI:

InChI=1/C19H21NO4/c1-13-12-14(6-11-17(13)24-2)4-3-5-18(21)20-16-9-7-15(8-10-16)19(22)23/h6-12H,3-5H2,1-2H3,(H,20,21)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.834 kcal/mol

Physical Properties
Molecular Weight: 327.38 g/mol	logS: -3.99373	SlogP: 3.66319	Reactive groups: 0

Topological Properties
Globularity: 0.0613862	Sterimol/B1: 2.1478	Sterimol/B2: 3.27843	Sterimol/B3: 5.66542
Sterimol/B4: 6.12294	Sterimol/L: 19.825

Surface and Volume Properties
Accessible surface: 620.334	Positive charged surface: 417.146	Negative charged surface: 203.187	Volume: 322.625
Hydrophobic surface: 478.554	Hydrophilic surface: 141.78

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00634870
CHEMBRIDGE-ZINC00617176