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MMsINC code: MMs03364932

Type: Neutral
Formula: C₁₄H₁₁ClFNO₄

SMILES:

Clc1cc(F)c(Oc2ccc(OC(C(O)=O)C)cc2)nc1

InChI:

InChI=1/C14H11ClFNO4/c1-8(14(18)19)20-10-2-4-11(5-3-10)21-13-12(16)6-9(15)7-17-13/h2-8H,1H3,(H,18,19)/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.8814 kcal/mol

Physical Properties
Molecular Weight: 311.696 g/mol	logS: -3.62341	SlogP: 3.5183	Reactive groups: 0

Topological Properties
Globularity: 0.0700076	Sterimol/B1: 2.19111	Sterimol/B2: 3.32163	Sterimol/B3: 4.89887
Sterimol/B4: 5.39515	Sterimol/L: 15.8547

Surface and Volume Properties
Accessible surface: 527.607	Positive charged surface: 268.68	Negative charged surface: 258.927	Volume: 259.25
Hydrophobic surface: 398.129	Hydrophilic surface: 129.478

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

MMs03364933
PUBCHEM-ZINC05734680