MMsINC Database Search


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MMsINC code: MMs00184431

Type: Neutral
Formula: C₁₁H₁₁Cl₄NO₃S

SMILES:

ClC(Cl)(Cl)C(S(=O)(=O)c1ccc(cc1)C)NC(=O)CCl

InChI:

InChI=1/C11H11Cl4NO3S/c1-7-2-4-8(5-3-7)20(18,19)10(11(13,14)15)16-9(17)6-12/h2-5,10H,6H2,1H3,(H,16,17)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.5659 kcal/mol

Physical Properties
Molecular Weight: 379.091 g/mol	logS: -5.22583	SlogP: 3.23992	Reactive groups: 1

Topological Properties
Globularity: 0.149429	Sterimol/B1: 3.29566	Sterimol/B2: 4.04043	Sterimol/B3: 4.93235
Sterimol/B4: 5.8308	Sterimol/L: 13.343

Surface and Volume Properties
Accessible surface: 510.938	Positive charged surface: 169.019	Negative charged surface: 341.92	Volume: 284.25
Hydrophobic surface: 229.947	Hydrophilic surface: 280.991

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.