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MMsINC code: MMs03436711

Type: Neutral
Formula: C₁₁H₁₅Cl₂NO₂

SMILES:

Clc1cccc(Cl)c1CNC(CO)(CO)C

InChI:

InChI=1/C11H15Cl2NO2/c1-11(6-15,7-16)14-5-8-9(12)3-2-4-10(8)13/h2-4,14-16H,5-7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.167 kcal/mol

Physical Properties
Molecular Weight: 264.152 g/mol	logS: -2.51609	SlogP: 2.0927	Reactive groups: 0

Topological Properties
Globularity: 0.116066	Sterimol/B1: 2.38014	Sterimol/B2: 3.37598	Sterimol/B3: 4.27746
Sterimol/B4: 6.10344	Sterimol/L: 13.056

Surface and Volume Properties
Accessible surface: 443.473	Positive charged surface: 253.418	Negative charged surface: 190.055	Volume: 235
Hydrophobic surface: 333.97	Hydrophilic surface: 109.503

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs03436712
PUBCHEM-ZINC05902494