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MMsINC code: MMs02636158

Type: Neutral
Formula: C₁₇H₁₄ClNO₄

SMILES:

Clc1ccccc1C(=O)N\C(=C\c1ccc(OC)cc1)\C(O)=O

InChI:

InChI=1/C17H14ClNO4/c1-23-12-8-6-11(7-9-12)10-15(17(21)22)19-16(20)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,20)(H,21,22)/b15-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.615 kcal/mol

Physical Properties
Molecular Weight: 331.755 g/mol	logS: -4.65079	SlogP: 3.2041	Reactive groups: 0

Topological Properties
Globularity: 0.0234217	Sterimol/B1: 2.50985	Sterimol/B2: 3.95772	Sterimol/B3: 4.15909
Sterimol/B4: 5.42066	Sterimol/L: 18.269

Surface and Volume Properties
Accessible surface: 559.431	Positive charged surface: 304.453	Negative charged surface: 254.977	Volume: 290.625
Hydrophobic surface: 458.193	Hydrophilic surface: 101.238

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

MMs02636159
PUBCHEM-ZINC00169169