MMsINC Database Search


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MMsINC code: MMs00919565

Type: Neutral
Formula: C₂₀H₂₄FNO₂S

SMILES:

S(=O)(=O)(N1c2cc(F)ccc2CCC1C)c1ccc(cc1)CC(C)C

InChI:

InChI=1/C20H24FNO2S/c1-14(2)12-16-5-10-19(11-6-16)25(23,24)22-15(3)4-7-17-8-9-18(21)13-20(17)22/h5-6,8-11,13-15H,4,7,12H2,1-3H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.289 kcal/mol

Physical Properties
Molecular Weight: 361.481 g/mol	logS: -6.14971	SlogP: 4.55414	Reactive groups: 0

Topological Properties
Globularity: 0.0709168	Sterimol/B1: 2.36192	Sterimol/B2: 3.79489	Sterimol/B3: 4.13708
Sterimol/B4: 8.70953	Sterimol/L: 16.243

Surface and Volume Properties
Accessible surface: 578.674	Positive charged surface: 343.858	Negative charged surface: 234.815	Volume: 339.5
Hydrophobic surface: 478.557	Hydrophilic surface: 100.117

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.