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MMsINC code: MMs02846158

Type: Neutral
Formula: C₁₉H₁₄ClNO₅

SMILES:

Clc1cc(ccc1)C(=O)n1c2c(cc3OCOc3c2)c(CC(O)=O)c1C

InChI:

InChI=1/C19H14ClNO5/c1-10-13(7-18(22)23)14-6-16-17(26-9-25-16)8-15(14)21(10)19(24)11-3-2-4-12(20)5-11/h2-6,8H,7,9H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.4374 kcal/mol

Physical Properties
Molecular Weight: 371.776 g/mol	logS: -4.75765	SlogP: 3.64739	Reactive groups: 0

Topological Properties
Globularity: 0.135696	Sterimol/B1: 2.49525	Sterimol/B2: 3.91944	Sterimol/B3: 5.61576
Sterimol/B4: 9.90845	Sterimol/L: 13.7813

Surface and Volume Properties
Accessible surface: 583.128	Positive charged surface: 299.48	Negative charged surface: 281.669	Volume: 321
Hydrophobic surface: 408.141	Hydrophilic surface: 174.987

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02846159
PUBCHEM-ZINC02005850