MMsINC Database Search


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MMsINC code: MMs01848381

Type: Neutral
Formula: C₁₆H₁₀FNO₃S

SMILES:

S1\C(=C/c2cc(F)ccc2)\C(=O)N(c2ccc(O)cc2)C1=O

InChI:

InChI=1/C16H10FNO3S/c17-11-3-1-2-10(8-11)9-14-15(20)18(16(21)22-14)12-4-6-13(19)7-5-12/h1-9,19H/b14-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.8811 kcal/mol

Physical Properties
Molecular Weight: 315.324 g/mol	logS: -4.74156	SlogP: 3.7722	Reactive groups: 0

Topological Properties
Globularity: 0.0393231	Sterimol/B1: 3.06057	Sterimol/B2: 3.36727	Sterimol/B3: 3.41447
Sterimol/B4: 5.05726	Sterimol/L: 17.0294

Surface and Volume Properties
Accessible surface: 515.519	Positive charged surface: 238.823	Negative charged surface: 276.696	Volume: 268.375
Hydrophobic surface: 359.597	Hydrophilic surface: 155.922

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.