MMsINC Database Search


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MMsINC code: MMs02602133

Type: Neutral
Formula: C₁₅H₁₄FNO₃S

SMILES:

S(=O)(=O)(Cc1ccc(F)cc1)CC(=O)Nc1ccccc1

InChI:

InChI=1/C15H14FNO3S/c16-13-8-6-12(7-9-13)10-21(19,20)11-15(18)17-14-4-2-1-3-5-14/h1-9H,10-11H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.4039 kcal/mol

Physical Properties
Molecular Weight: 307.345 g/mol	logS: -3.76102	SlogP: 2.6456	Reactive groups: 0

Topological Properties
Globularity: 0.0454059	Sterimol/B1: 3.29476	Sterimol/B2: 3.29772	Sterimol/B3: 3.91484
Sterimol/B4: 4.60197	Sterimol/L: 17.5316

Surface and Volume Properties
Accessible surface: 532.382	Positive charged surface: 282.051	Negative charged surface: 250.332	Volume: 269.75
Hydrophobic surface: 442.442	Hydrophilic surface: 89.94

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.