MMsINC Database Search


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MMsINC code: MMs01506178

Type: Neutral
Formula: C₁₅H₁₅FN₂O₃S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(NC(=O)c2ccccc2F)cc1

InChI:

InChI=1/C15H15FN2O3S/c1-18(2)22(20,21)12-9-7-11(8-10-12)17-15(19)13-5-3-4-6-14(13)16/h3-10H,1-2H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.1686 kcal/mol

Physical Properties
Molecular Weight: 322.36 g/mol	logS: -3.56341	SlogP: 2.3283	Reactive groups: 0

Topological Properties
Globularity: 0.0453077	Sterimol/B1: 2.54814	Sterimol/B2: 3.25206	Sterimol/B3: 4.41367
Sterimol/B4: 5.15596	Sterimol/L: 16.7739

Surface and Volume Properties
Accessible surface: 529.427	Positive charged surface: 309.279	Negative charged surface: 220.148	Volume: 281.625
Hydrophobic surface: 439.705	Hydrophilic surface: 89.722

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.