MMsINC Database Search


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MMsINC code: MMs01501735

Type: Neutral
Formula: C₁₅H₁₄ClFN₂O₃S

SMILES:

Clc1cc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2)c(F)cc1

InChI:

InChI=1/C15H14ClFN2O3S/c1-19(2)23(21,22)12-5-3-4-10(8-12)15(20)18-14-9-11(16)6-7-13(14)17/h3-9H,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.5721 kcal/mol

Physical Properties
Molecular Weight: 356.805 g/mol	logS: -4.2977	SlogP: 2.9817	Reactive groups: 0

Topological Properties
Globularity: 0.0342805	Sterimol/B1: 3.02007	Sterimol/B2: 3.29148	Sterimol/B3: 4.28772
Sterimol/B4: 7.46659	Sterimol/L: 16.5706

Surface and Volume Properties
Accessible surface: 562.663	Positive charged surface: 287.998	Negative charged surface: 274.665	Volume: 297.25
Hydrophobic surface: 471.549	Hydrophilic surface: 91.114

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.