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MMsINC code: MMs02206905

Type: Neutral
Formula: C₁₉H₁₉NO₅

SMILES:

O(Cc1ccccc1)C(=O)CCC(NC(=O)c1ccccc1)C(O)=O

InChI:

InChI=1/C19H19NO5/c21-17(25-13-14-7-3-1-4-8-14)12-11-16(19(23)24)20-18(22)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)(H,23,24)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.086 kcal/mol

Physical Properties
Molecular Weight: 341.363 g/mol	logS: -3.78661	SlogP: 2.6596	Reactive groups: 1

Topological Properties
Globularity: 0.0616935	Sterimol/B1: 2.96137	Sterimol/B2: 3.90612	Sterimol/B3: 4.23226
Sterimol/B4: 8.54421	Sterimol/L: 16.7704

Surface and Volume Properties
Accessible surface: 634.163	Positive charged surface: 353.206	Negative charged surface: 280.956	Volume: 324.5
Hydrophobic surface: 471.211	Hydrophilic surface: 162.952

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02206906
NANOSIN-ZINC04425296