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MMsINC code: MMs02901699

Type: Neutral
Formula: C₁₁H₁₁Cl₂NO₃

SMILES:

ClC(Cl)C(=O)NC(Cc1ccccc1)C(O)=O

InChI:

InChI=1/C11H11Cl2NO3/c12-9(13)10(15)14-8(11(16)17)6-7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,14,15)(H,16,17)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.8158 kcal/mol

Physical Properties
Molecular Weight: 276.119 g/mol	logS: -2.99961	SlogP: 2.02207	Reactive groups: 0

Topological Properties
Globularity: 0.168341	Sterimol/B1: 3.48765	Sterimol/B2: 3.59149	Sterimol/B3: 5.14376
Sterimol/B4: 5.38824	Sterimol/L: 11.1493

Surface and Volume Properties
Accessible surface: 452.106	Positive charged surface: 194.697	Negative charged surface: 257.409	Volume: 231
Hydrophobic surface: 221.64	Hydrophilic surface: 230.466

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02901700
PUBCHEM-ZINC02564521