MMsINC Database Search


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MMsINC code: MMs02525482

Type: Neutral
Formula: C₁₅H₂₃FN₂O₃S₂

SMILES:

S(C(C)(C)C)CCNC(=O)CN(S(=O)(=O)C)c1ccc(F)cc1

InChI:

InChI=1/C15H23FN2O3S2/c1-15(2,3)22-10-9-17-14(19)11-18(23(4,20)21)13-7-5-12(16)6-8-13/h5-8H,9-11H2,1-4H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.5475 kcal/mol

Physical Properties
Molecular Weight: 362.49 g/mol	logS: -3.7395	SlogP: 2.2396	Reactive groups: 0

Topological Properties
Globularity: 0.0734044	Sterimol/B1: 3.16903	Sterimol/B2: 3.50082	Sterimol/B3: 4.51
Sterimol/B4: 7.05004	Sterimol/L: 16.8117

Surface and Volume Properties
Accessible surface: 610.559	Positive charged surface: 350.517	Negative charged surface: 260.042	Volume: 330.375
Hydrophobic surface: 431.679	Hydrophilic surface: 178.88

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.