MMsINC Database Search


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MMsINC code: MMs03320587

Type: Neutral
Formula: C₁₇H₁₇FOS

SMILES:

S(=O)(\C(\F)=C\CCc1ccccc1)c1ccc(cc1)C

InChI:

InChI=1/C17H17FOS/c1-14-10-12-16(13-11-14)20(19)17(18)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-13H,5,8H2,1H3/b17-9-/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.0011 kcal/mol

Physical Properties
Molecular Weight: 288.386 g/mol	logS: -5.12473	SlogP: 4.65519	Reactive groups: 0

Topological Properties
Globularity: 0.0802003	Sterimol/B1: 2.4329	Sterimol/B2: 3.25536	Sterimol/B3: 4.50108
Sterimol/B4: 6.28043	Sterimol/L: 15.9477

Surface and Volume Properties
Accessible surface: 542.353	Positive charged surface: 294.42	Negative charged surface: 247.933	Volume: 282.5
Hydrophobic surface: 485.107	Hydrophilic surface: 57.246

Pharmacophoric Properties
Hydrogen bond donors: 0	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.