MMsINC Database Search


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MMsINC code: MMs02585162

Type: Neutral
Formula: C₁₅H₁₄FNO₃S

SMILES:

S(=O)(=O)(Cc1ccccc1)CC(=O)Nc1ccc(F)cc1

InChI:

InChI=1/C15H14FNO3S/c16-13-6-8-14(9-7-13)17-15(18)11-21(19,20)10-12-4-2-1-3-5-12/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)=60.8421 kcal/mol

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

Topological Properties
Globularity: 0.049347	Sterimol/B1: 3.39413	Sterimol/B2: 3.40517	Sterimol/B3: 4.04309
Sterimol/B4: 4.49346	Sterimol/L: 17.5353

Surface and Volume Properties
Accessible surface: 532.253	Positive charged surface: 278.008	Negative charged surface: 254.244	Volume: 269.625
Hydrophobic surface: 443.102	Hydrophilic surface: 89.151

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.