MMsINC Database Search


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MMsINC code: MMs01626500

Type: Neutral
Formula: C₁₄H₁₄ClFN₂O₄S₂

SMILES:

Clc1cc(F)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1

InChI:

InChI=1/C14H14ClFN2O4S2/c1-18(2)24(21,22)12-6-4-11(5-7-12)17-23(19,20)14-8-3-10(15)9-13(14)16/h3-9,17H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.5275 kcal/mol

Physical Properties
Molecular Weight: 392.859 g/mol	logS: -3.98955	SlogP: 2.5302	Reactive groups: 0

Topological Properties
Globularity: 0.146102	Sterimol/B1: 2.56009	Sterimol/B2: 4.67944	Sterimol/B3: 5.14671
Sterimol/B4: 5.82529	Sterimol/L: 14.712

Surface and Volume Properties
Accessible surface: 568.075	Positive charged surface: 278.373	Negative charged surface: 289.702	Volume: 309
Hydrophobic surface: 434.244	Hydrophilic surface: 133.831

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.