MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01382940

Type: Neutral
Formula: C₁₄H₁₀FNO₃S

SMILES:

S1(=O)(=O)N(Cc2ccc(F)cc2)C(=O)c2c1cccc2

InChI:

InChI=1/C14H10FNO3S/c15-11-7-5-10(6-8-11)9-16-14(17)12-3-1-2-4-13(12)20(16,18)19/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.2678 kcal/mol

Physical Properties
Molecular Weight: 291.302 g/mol	logS: -3.88935	SlogP: 2.4368	Reactive groups: 0

Topological Properties
Globularity: 0.129104	Sterimol/B1: 2.9035	Sterimol/B2: 3.11559	Sterimol/B3: 4.58896
Sterimol/B4: 5.41648	Sterimol/L: 13.5968

Surface and Volume Properties
Accessible surface: 469.158	Positive charged surface: 217.093	Negative charged surface: 252.065	Volume: 241
Hydrophobic surface: 368.733	Hydrophilic surface: 100.425

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.