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MMsINC code: MMs02156138

Type: Neutral
Formula: C₁₃H₁₀Cl₂N₂O₄

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)NCC(O)=O

InChI:

InChI=1/C13H10Cl2N2O4/c1-6-10(13(20)16-5-9(18)19)12(17-21-6)11-7(14)3-2-4-8(11)15/h2-4H,5H2,1H3,(H,16,20)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6227 kcal/mol

Physical Properties
Molecular Weight: 329.139 g/mol	logS: -4.35035	SlogP: 2.77122	Reactive groups: 0

Topological Properties
Globularity: 0.205056	Sterimol/B1: 2.56022	Sterimol/B2: 4.64466	Sterimol/B3: 4.77457
Sterimol/B4: 8.97959	Sterimol/L: 11.3421

Surface and Volume Properties
Accessible surface: 513.158	Positive charged surface: 226.557	Negative charged surface: 286.6	Volume: 261
Hydrophobic surface: 361.368	Hydrophilic surface: 151.79

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02156139
MAYBRIDGE-ZINC01045767