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MMsINC code: MMs02988102

Type: Neutral
Formula: C₁₁H₁₀ClNO₃

SMILES:

Clc1ccc(cc1)\C=C\C(=O)NCC(O)=O

InChI:

InChI=1/C11H10ClNO3/c12-9-4-1-8(2-5-9)3-6-10(14)13-7-11(15)16/h1-6H,7H2,(H,13,14)(H,15,16)/b6-3+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.5548 kcal/mol

Physical Properties
Molecular Weight: 239.658 g/mol	logS: -2.76696	SlogP: 1.554	Reactive groups: 0

Topological Properties
Globularity: 0.00415942	Sterimol/B1: 2.37389	Sterimol/B2: 2.3762	Sterimol/B3: 2.55731
Sterimol/B4: 5.31641	Sterimol/L: 16.6456

Surface and Volume Properties
Accessible surface: 452.149	Positive charged surface: 212.754	Negative charged surface: 239.395	Volume: 209.375
Hydrophobic surface: 296.297	Hydrophilic surface: 155.852

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

MMs02988103
PUBCHEM-ZINC03060741