MMsINC Database Search


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MMsINC code: MMs02832884

Type: Neutral
Formula: C₁₈H₁₁Cl₂FN₂O₄

SMILES:

ClC1=C(Nc2cc(Cl)c(F)cc2)C(=O)N(C1=O)c1ccccc1C(OC)=O

InChI:

InChI=1/C18H11Cl2FN2O4/c1-27-18(26)10-4-2-3-5-13(10)23-16(24)14(20)15(17(23)25)22-9-6-7-12(21)11(19)8-9/h2-8,22H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.327 kcal/mol

Physical Properties
Molecular Weight: 409.2 g/mol	logS: -6.42113	SlogP: 3.8103	Reactive groups: 1

Topological Properties
Globularity: 0.105563	Sterimol/B1: 1.969	Sterimol/B2: 2.11399	Sterimol/B3: 6.54562
Sterimol/B4: 8.81587	Sterimol/L: 14.4997

Surface and Volume Properties
Accessible surface: 612.6	Positive charged surface: 274.619	Negative charged surface: 337.981	Volume: 327.375
Hydrophobic surface: 516.562	Hydrophilic surface: 96.038

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: no related molecules available.