MMsINC Database Search


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MMsINC code: MMs02975525

Type: Neutral
Formula: C₁₆H₁₆FNO₂S

SMILES:

S(Cc1occc1)CCNC(=O)\C=C\c1ccc(F)cc1

InChI:

InChI=1/C16H16FNO2S/c17-14-6-3-13(4-7-14)5-8-16(19)18-9-11-21-12-15-2-1-10-20-15/h1-8,10H,9,11-12H2,(H,18,19)/b8-5+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.8499 kcal/mol

Physical Properties
Molecular Weight: 305.373 g/mol	logS: -4.84316	SlogP: 3.7479	Reactive groups: 0

Topological Properties
Globularity: 0.013801	Sterimol/B1: 2.98132	Sterimol/B2: 3.4964	Sterimol/B3: 3.57604
Sterimol/B4: 4.45921	Sterimol/L: 21.0159

Surface and Volume Properties
Accessible surface: 582.755	Positive charged surface: 303.318	Negative charged surface: 279.437	Volume: 288.25
Hydrophobic surface: 480.94	Hydrophilic surface: 101.815

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