MMsINC Database Search


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MMsINC code: MMs03378739

Type: Neutral
Formula: C₂₀H₁₄Cl₂FNO₂

SMILES:

Clc1cc(-c2ccc(Cl)cc2)c(O)c(c1)C(=O)Nc1ccc(F)cc1C

InChI:

InChI=1/C20H14Cl2FNO2/c1-11-8-15(23)6-7-18(11)24-20(26)17-10-14(22)9-16(19(17)25)12-2-4-13(21)5-3-12/h2-10,25H,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.725 kcal/mol

Physical Properties
Molecular Weight: 390.241 g/mol	logS: -7.34333	SlogP: 6.06582	Reactive groups: 0

Topological Properties
Globularity: 0.0261673	Sterimol/B1: 2.49698	Sterimol/B2: 3.78122	Sterimol/B3: 4.56813
Sterimol/B4: 6.74569	Sterimol/L: 18.3789

Surface and Volume Properties
Accessible surface: 612.107	Positive charged surface: 261.479	Negative charged surface: 346.761	Volume: 337.75
Hydrophobic surface: 559.229	Hydrophilic surface: 52.878

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.