MMsINC Database Search


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MMsINC code: MMs02836414

Type: Neutral
Formula: C₁₈H₁₁Cl₂FN₂O₄

SMILES:

ClC1=C(Nc2cc(Cl)c(F)cc2)C(=O)N(C1=O)c1cc(ccc1)C(OC)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.083 kcal/mol

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

Topological Properties
Globularity: 0.0442502	Sterimol/B1: 3.87839	Sterimol/B2: 3.8948	Sterimol/B3: 4.64296
Sterimol/B4: 5.9845	Sterimol/L: 18.507

Surface and Volume Properties
Accessible surface: 618.967	Positive charged surface: 278.427	Negative charged surface: 340.54	Volume: 328.375
Hydrophobic surface: 504.242	Hydrophilic surface: 114.725

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.