MMsINC Database Search


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MMsINC code: MMs01366647

Type: Neutral
Formula: C₁₅H₁₁ClF₅NO₂S

SMILES:

Clc1ccc(cc1S(=O)(=O)N(Cc1ccccc1)C(F)F)C(F)(F)F

InChI:

InChI=1/C15H11ClF5NO2S/c16-12-7-6-11(15(19,20)21)8-13(12)25(23,24)22(14(17)18)9-10-4-2-1-3-5-10/h1-8,14H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.717 kcal/mol

Physical Properties
Molecular Weight: 399.767 g/mol	logS: -4.94105	SlogP: 5.7701	Reactive groups: 0

Topological Properties
Globularity: 0.084626	Sterimol/B1: 3.12835	Sterimol/B2: 3.32259	Sterimol/B3: 4.03184
Sterimol/B4: 6.90105	Sterimol/L: 13.9425

Surface and Volume Properties
Accessible surface: 526.995	Positive charged surface: 183	Negative charged surface: 343.995	Volume: 294.625
Hydrophobic surface: 324.636	Hydrophilic surface: 202.359

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.