MMsINC Database Search


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MMsINC code: MMs00127111

Type: Neutral
Formula: C₉H₁₁FN₂O₃S

SMILES:

S(=O)(=O)(N(CC(=O)N)c1ccccc1F)C

InChI:

InChI=1/C9H11FN2O3S/c1-16(14,15)12(6-9(11)13)8-5-3-2-4-7(8)10/h2-5H,6H2,1H3,(H2,11,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.2738 kcal/mol

Physical Properties
Molecular Weight: 246.262 g/mol	logS: -1.87198	SlogP: 0.077	Reactive groups: 0

Topological Properties
Globularity: 0.208548	Sterimol/B1: 2.33387	Sterimol/B2: 3.30527	Sterimol/B3: 3.82018
Sterimol/B4: 7.49168	Sterimol/L: 10.8987

Surface and Volume Properties
Accessible surface: 409.66	Positive charged surface: 221.869	Negative charged surface: 187.791	Volume: 203.375
Hydrophobic surface: 253.175	Hydrophilic surface: 156.485

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.