MMsINC Database Search


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MMsINC code: MMs00899442

Type: Neutral
Formula: C₁₈H₂₀FNO₃S

SMILES:

S(=O)(=O)(Cc1ccccc1F)CCC(=O)NC(C)c1ccccc1

InChI:

InChI=1/C18H20FNO3S/c1-14(15-7-3-2-4-8-15)20-18(21)11-12-24(22,23)13-16-9-5-6-10-17(16)19/h2-10,14H,11-13H2,1H3,(H,20,21)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.1329 kcal/mol

Physical Properties
Molecular Weight: 349.426 g/mol	logS: -3.91419	SlogP: 3.3699	Reactive groups: 0

Topological Properties
Globularity: 0.0454082	Sterimol/B1: 2.15649	Sterimol/B2: 3.25805	Sterimol/B3: 3.91267
Sterimol/B4: 6.10439	Sterimol/L: 19.6103

Surface and Volume Properties
Accessible surface: 619.104	Positive charged surface: 340.947	Negative charged surface: 278.157	Volume: 321.75
Hydrophobic surface: 513.736	Hydrophilic surface: 105.368

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.