MMsINC Database Search


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MMsINC code: MMs02862478

Type: Neutral
Formula: C₁₄H₁₅Cl₄NO₅S

SMILES:

ClC(Cl)(N(Cc1ccc(S(=O)(=O)C)cc1)C(=O)C)COC(=O)C(Cl)Cl

InChI:

InChI=1/C14H15Cl4NO5S/c1-9(20)19(14(17,18)8-24-13(21)12(15)16)7-10-3-5-11(6-4-10)25(2,22)23/h3-6,12H,7-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.3733 kcal/mol

Physical Properties
Molecular Weight: 451.154 g/mol	logS: -5.03501	SlogP: 4.0231	Reactive groups: 0

Topological Properties
Globularity: 0.139099	Sterimol/B1: 2.11693	Sterimol/B2: 3.09767	Sterimol/B3: 5.32417
Sterimol/B4: 10.5229	Sterimol/L: 14.7027

Surface and Volume Properties
Accessible surface: 615.969	Positive charged surface: 212.865	Negative charged surface: 403.103	Volume: 342.625
Hydrophobic surface: 270.202	Hydrophilic surface: 345.767

Pharmacophoric Properties
Hydrogen bond donors: 0	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.