MMsINC Database Search


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MMsINC code: MMs01033830

Type: Neutral
Formula: C₁₄H₁₄FNO₂S

SMILES:

s1c(CNCc2ccc(F)cc2)c(cc1C(O)=O)C

InChI:

InChI=1/C14H14FNO2S/c1-9-6-12(14(17)18)19-13(9)8-16-7-10-2-4-11(15)5-3-10/h2-6,16H,7-8H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.9677 kcal/mol

Physical Properties
Molecular Weight: 279.335 g/mol	logS: -3.27772	SlogP: 3.71642	Reactive groups: 0

Topological Properties
Globularity: 0.0997724	Sterimol/B1: 2.1523	Sterimol/B2: 3.0756	Sterimol/B3: 4.27541
Sterimol/B4: 6.94329	Sterimol/L: 15.2828

Surface and Volume Properties
Accessible surface: 508.983	Positive charged surface: 263.848	Negative charged surface: 245.134	Volume: 253.875
Hydrophobic surface: 386.996	Hydrophilic surface: 121.987

Pharmacophoric Properties
Hydrogen bond donors: 3	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.