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MMsINC code: MMs00531075

Type: Neutral
Formula: C₁₈H₁₉NO₇

SMILES:

O(C)c1cc(C(O)=O)c(NC(=O)COc2cc(OC)ccc2)cc1OC

InChI:

InChI=1/C18H19NO7/c1-23-11-5-4-6-12(7-11)26-10-17(20)19-14-9-16(25-3)15(24-2)8-13(14)18(21)22/h4-9H,10H2,1-3H3,(H,19,20)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.098 kcal/mol

Physical Properties
Molecular Weight: 361.35 g/mol	logS: -3.55223	SlogP: 2.4281	Reactive groups: 0

Topological Properties
Globularity: 0.0178897	Sterimol/B1: 2.4289	Sterimol/B2: 3.72757	Sterimol/B3: 5.16958
Sterimol/B4: 6.82173	Sterimol/L: 20.0575

Surface and Volume Properties
Accessible surface: 632.605	Positive charged surface: 465.132	Negative charged surface: 167.473	Volume: 326.875
Hydrophobic surface: 478.242	Hydrophilic surface: 154.363

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 7	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

MMs00531076
CHEMBLOCK-ZINC02303567