MMsINC Database Search


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MMsINC code: MMs03177983

Type: Neutral
Formula: C₁₀H₁₃FN₂O₃S

SMILES:

S(=O)(=O)(N(C(C(=O)N)C)c1ccc(F)cc1)C

InChI:

InChI=1/C10H13FN2O3S/c1-7(10(12)14)13(17(2,15)16)9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H2,12,14)/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.8301 kcal/mol

Physical Properties
Molecular Weight: 260.289 g/mol	logS: -2.19919	SlogP: 0.4655	Reactive groups: 0

Topological Properties
Globularity: 0.377327	Sterimol/B1: 2.28075	Sterimol/B2: 4.14264	Sterimol/B3: 5.27765
Sterimol/B4: 6.18297	Sterimol/L: 10.609

Surface and Volume Properties
Accessible surface: 422.818	Positive charged surface: 223.304	Negative charged surface: 199.514	Volume: 218.125
Hydrophobic surface: 262.929	Hydrophilic surface: 159.889

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.