MMsINC Database Search


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MMsINC code: MMs01589806

Type: Neutral
Formula: C₁₂H₁₀ClFN₂O₂S

SMILES:

Clc1ncc(S(=O)(=O)NCc2ccc(F)cc2)cc1

InChI:

InChI=1/C12H10ClFN2O2S/c13-12-6-5-11(8-15-12)19(17,18)16-7-9-1-3-10(14)4-2-9/h1-6,8,16H,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=10.9677 kcal/mol

Physical Properties
Molecular Weight: 300.741 g/mol	logS: -3.07315	SlogP: 2.619	Reactive groups: 0

Topological Properties
Globularity: 0.0924786	Sterimol/B1: 2.90778	Sterimol/B2: 3.54929	Sterimol/B3: 4.06854
Sterimol/B4: 5.87506	Sterimol/L: 15.3108

Surface and Volume Properties
Accessible surface: 491.737	Positive charged surface: 206.425	Negative charged surface: 285.312	Volume: 242.25
Hydrophobic surface: 382.041	Hydrophilic surface: 109.696

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.