MMsINC Database Search


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MMsINC code: MMs00847799

Type: Neutral
Formula: C₁₇H₁₈FNO₂S

SMILES:

S(Cc1ccc(F)cc1)CC(=O)NCc1cc(OC)ccc1

InChI:

InChI=1/C17H18FNO2S/c1-21-16-4-2-3-14(9-16)10-19-17(20)12-22-11-13-5-7-15(18)8-6-13/h2-9H,10-12H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.3979 kcal/mol

Physical Properties
Molecular Weight: 319.4 g/mol	logS: -4.63615	SlogP: 3.9167	Reactive groups: 0

Topological Properties
Globularity: 0.0280907	Sterimol/B1: 2.47651	Sterimol/B2: 2.80073	Sterimol/B3: 4.11617
Sterimol/B4: 5.94076	Sterimol/L: 20.3877

Surface and Volume Properties
Accessible surface: 603.041	Positive charged surface: 375.272	Negative charged surface: 227.769	Volume: 302.875
Hydrophobic surface: 505.944	Hydrophilic surface: 97.097

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.