MMsINC Database Search


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MMsINC code: MMs02143164

Type: Neutral
Formula: C₁₅H₁₀FNO₄S

SMILES:

S1(=O)(=O)N(CC(=O)c2ccc(F)cc2)C(=O)c2c1cccc2

InChI:

InChI=1/C15H10FNO4S/c16-11-7-5-10(6-8-11)13(18)9-17-15(19)12-3-1-2-4-14(12)22(17,20)21/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.6198 kcal/mol

Physical Properties
Molecular Weight: 319.312 g/mol	logS: -4.2207	SlogP: 1.8531	Reactive groups: 0

Topological Properties
Globularity: 0.06909	Sterimol/B1: 2.48169	Sterimol/B2: 3.05977	Sterimol/B3: 4.13196
Sterimol/B4: 5.62036	Sterimol/L: 16.5849

Surface and Volume Properties
Accessible surface: 505.949	Positive charged surface: 219.108	Negative charged surface: 286.842	Volume: 261.5
Hydrophobic surface: 376.879	Hydrophilic surface: 129.07

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.