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MMsINC code: MMs03520318

Type: Neutral
Formula: C₁₈H₁₃Cl₂FO₄

SMILES:

Clc1c(OCC(O)=O)cc2c(C(=O)C(C2)(C)c2ccc(F)cc2)c1Cl

InChI:

InChI=1/C18H13Cl2FO4/c1-18(10-2-4-11(21)5-3-10)7-9-6-12(25-8-13(22)23)15(19)16(20)14(9)17(18)24/h2-6H,7-8H2,1H3,(H,22,23)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.638 kcal/mol

Physical Properties
Molecular Weight: 383.202 g/mol	logS: -5.58914	SlogP: 4.29257	Reactive groups: 0

Topological Properties
Globularity: 0.130781	Sterimol/B1: 2.22424	Sterimol/B2: 4.11956	Sterimol/B3: 5.45999
Sterimol/B4: 6.28521	Sterimol/L: 16.2822

Surface and Volume Properties
Accessible surface: 572.794	Positive charged surface: 259.271	Negative charged surface: 313.523	Volume: 311
Hydrophobic surface: 428.742	Hydrophilic surface: 144.052

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs03520319
PUBCHEM-ZINC06067380