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MMsINC code: MMs00846673

Type: Neutral
Formula: C₁₄H₉Cl₂NO₅

SMILES:

Clc1cc(Cl)ccc1Oc1cc(C(O)=O)c(N)cc1C(O)=O

InChI:

InChI=1/C14H9Cl2NO5/c15-6-1-2-11(9(16)3-6)22-12-5-7(13(18)19)10(17)4-8(12)14(20)21/h1-5H,17H2,(H,18,19)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.5144 kcal/mol

Physical Properties
Molecular Weight: 342.134 g/mol	logS: -4.29585	SlogP: 3.7643	Reactive groups: 0

Topological Properties
Globularity: 0.102439	Sterimol/B1: 2.51463	Sterimol/B2: 5.47238	Sterimol/B3: 5.80827
Sterimol/B4: 5.87238	Sterimol/L: 13.9937

Surface and Volume Properties
Accessible surface: 514.19	Positive charged surface: 241.715	Negative charged surface: 272.474	Volume: 268.5
Hydrophobic surface: 288.991	Hydrophilic surface: 225.199

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 4	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

MMs00846674
CHEMDIV-ZINC00254823