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MMsINC code: MMs02847395

Type: Neutral
Formula: C₁₉H₁₄ClNO₅

SMILES:

Clc1ccc(cc1)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)11-2-4-12(20)5-3-11/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)=100.031 kcal/mol

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

Topological Properties
Globularity: 0.126444	Sterimol/B1: 2.47206	Sterimol/B2: 3.9168	Sterimol/B3: 4.42255
Sterimol/B4: 9.92506	Sterimol/L: 14.7081

Surface and Volume Properties
Accessible surface: 581.152	Positive charged surface: 299.174	Negative charged surface: 279.999	Volume: 319
Hydrophobic surface: 406.164	Hydrophilic surface: 174.988

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

MMs02847396
PUBCHEM-ZINC02008014