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MMsINC code: MMs02843585

Type: Neutral
Formula: C₁₈H₁₅ClN₂O₄

SMILES:

Clc1ncccc1C(=O)n1c2c(cc(OC)cc2)c(CC(O)=O)c1C

InChI:

InChI=1/C18H15ClN2O4/c1-10-13(9-16(22)23)14-8-11(25-2)5-6-15(14)21(10)18(24)12-4-3-7-20-17(12)19/h3-8H,9H2,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.348 kcal/mol

Physical Properties
Molecular Weight: 358.781 g/mol	logS: -3.90605	SlogP: 3.32229	Reactive groups: 0

Topological Properties
Globularity: 0.136822	Sterimol/B1: 4.0149	Sterimol/B2: 4.47733	Sterimol/B3: 4.54303
Sterimol/B4: 8.06314	Sterimol/L: 14.3067

Surface and Volume Properties
Accessible surface: 575.43	Positive charged surface: 331.991	Negative charged surface: 240.679	Volume: 316.125
Hydrophobic surface: 433.153	Hydrophilic surface: 142.277

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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

MMs02843586
PUBCHEM-ZINC02001308