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MMsINC code: MMs02838176

Type: Neutral
Formula: C₁₉H₁₅ClN₂O₄

SMILES:

ClC1=C(Nc2cc(ccc2)C(O)=O)C(=O)N(C1=O)c1cc(cc(c1)C)C

InChI:

InChI=1/C19H15ClN2O4/c1-10-6-11(2)8-14(7-10)22-17(23)15(20)16(18(22)24)21-13-5-3-4-12(9-13)19(25)26/h3-9,21H,1-2H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.4875 kcal/mol

Physical Properties
Molecular Weight: 370.792 g/mol	logS: -5.92737	SlogP: 3.54624	Reactive groups: 1

Topological Properties
Globularity: 0.046095	Sterimol/B1: 1.98407	Sterimol/B2: 2.54649	Sterimol/B3: 4.66477
Sterimol/B4: 9.62487	Sterimol/L: 18.0167

Surface and Volume Properties
Accessible surface: 604.026	Positive charged surface: 300.523	Negative charged surface: 303.503	Volume: 325.125
Hydrophobic surface: 433.734	Hydrophilic surface: 170.292

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

MMs02838177
PUBCHEM-ZINC01989577