MMsINC Database Search


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MMsINC code: MMs01447250

Type: Neutral
Formula: C₁₇H₁₂ClF₂NO₅

SMILES:

Clc1cc(F)c(F)cc1C(OCC(=O)NC(=O)c1ccccc1OC)=O

InChI:

InChI=1/C17H12ClF2NO5/c1-25-14-5-3-2-4-9(14)16(23)21-15(22)8-26-17(24)10-6-12(19)13(20)7-11(10)18/h2-7H,8H2,1H3,(H,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.811 kcal/mol

Physical Properties
Molecular Weight: 383.734 g/mol	logS: -5.46902	SlogP: 2.7402	Reactive groups: 0

Topological Properties
Globularity: 0.00330071	Sterimol/B1: 2.37268	Sterimol/B2: 2.37776	Sterimol/B3: 2.53562
Sterimol/B4: 7.46486	Sterimol/L: 18.6849

Surface and Volume Properties
Accessible surface: 599.789	Positive charged surface: 309.533	Negative charged surface: 290.256	Volume: 312.125
Hydrophobic surface: 497.947	Hydrophilic surface: 101.842

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.