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MMsINC code: MMs02844684

Type: Neutral
Formula: C₁₉H₁₇NO₅

SMILES:

O(C)c1cc2c(n(C(=O)c3ccccc3O)c(C)c2CC(O)=O)cc1

InChI:

InChI=1/C19H17NO5/c1-11-14(10-18(22)23)15-9-12(25-2)7-8-16(15)20(11)19(24)13-5-3-4-6-17(13)21/h3-9,21H,10H2,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.843 kcal/mol

Physical Properties
Molecular Weight: 339.347 g/mol	logS: -3.75669	SlogP: 2.97949	Reactive groups: 0

Topological Properties
Globularity: 0.132709	Sterimol/B1: 3.71891	Sterimol/B2: 3.95713	Sterimol/B3: 4.59645
Sterimol/B4: 8.39741	Sterimol/L: 14.4673

Surface and Volume Properties
Accessible surface: 572.228	Positive charged surface: 348.362	Negative charged surface: 221.107	Volume: 311.625
Hydrophobic surface: 408.238	Hydrophilic surface: 163.99

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02844685
PUBCHEM-ZINC02003011