MMsINC Database Search


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MMsINC code: MMs00592102

Type: Neutral
Formula: C₁₄H₁₈FNOS

SMILES:

S(CC(=O)Nc1ccc(F)cc1)C1CCCCC1

InChI:

InChI=1/C14H18FNOS/c15-11-6-8-12(9-7-11)16-14(17)10-18-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.6465 kcal/mol

Physical Properties
Molecular Weight: 267.368 g/mol	logS: -4.34497	SlogP: 3.8301	Reactive groups: 0

Topological Properties
Globularity: 0.0432594	Sterimol/B1: 2.84127	Sterimol/B2: 2.91062	Sterimol/B3: 3.93109
Sterimol/B4: 4.45708	Sterimol/L: 17.06

Surface and Volume Properties
Accessible surface: 505.868	Positive charged surface: 324.841	Negative charged surface: 181.026	Volume: 255.75
Hydrophobic surface: 434.772	Hydrophilic surface: 71.096

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.