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MMsINC code: MMs00597472

Type: Neutral
Formula: C₁₅H₈ClNO₄

SMILES:

Clc1ccc(cc1N1C(=O)c2c(cccc2)C1=O)C(O)=O

InChI:

InChI=1/C15H8ClNO4/c16-11-6-5-8(15(20)21)7-12(11)17-13(18)9-3-1-2-4-10(9)14(17)19/h1-7H,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.8832 kcal/mol

Physical Properties
Molecular Weight: 301.685 g/mol	logS: -4.46228	SlogP: 2.8388	Reactive groups: 0

Topological Properties
Globularity: 0.0927558	Sterimol/B1: 3.30955	Sterimol/B2: 4.02488	Sterimol/B3: 4.68589
Sterimol/B4: 5.57491	Sterimol/L: 14.6989

Surface and Volume Properties
Accessible surface: 487.255	Positive charged surface: 209.417	Negative charged surface: 277.838	Volume: 250.375
Hydrophobic surface: 321.21	Hydrophilic surface: 166.045

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00597473
CHEMBRIDGE-ZINC00238795