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MMsINC code: MMs03189876

Type: Neutral
Formula: C₂₀H₂₃NO₅

SMILES:

O(Cc1ccccc1)C(C(NC(OCc1ccccc1)=O)C(O)=O)(C)C

InChI:

InChI=1/C20H23NO5/c1-20(2,26-14-16-11-7-4-8-12-16)17(18(22)23)21-19(24)25-13-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3,(H,21,24)(H,22,23)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.6457 kcal/mol

Physical Properties
Molecular Weight: 357.406 g/mol	logS: -4.16863	SlogP: 3.8942	Reactive groups: 0

Topological Properties
Globularity: 0.114062	Sterimol/B1: 2.09274	Sterimol/B2: 3.53637	Sterimol/B3: 6.41773
Sterimol/B4: 8.04576	Sterimol/L: 16.2826

Surface and Volume Properties
Accessible surface: 652.662	Positive charged surface: 380.778	Negative charged surface: 271.884	Volume: 348.375
Hydrophobic surface: 491.386	Hydrophilic surface: 161.276

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

MMs03189877
PUBCHEM-ZINC05018548