MMsINC Database Search


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MMsINC code: MMs01271763

Type: Neutral
Formula: C₂₀H₁₇FN₂O₃S

SMILES:

S(=O)(=O)(Nc1ccc(F)cc1)c1cc(ccc1)C(=O)NCc1ccccc1

InChI:

InChI=1/C20H17FN2O3S/c21-17-9-11-18(12-10-17)23-27(25,26)19-8-4-7-16(13-19)20(24)22-14-15-5-2-1-3-6-15/h1-13,23H,14H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.4354 kcal/mol

Physical Properties
Molecular Weight: 384.431 g/mol	logS: -5.25573	SlogP: 3.8229	Reactive groups: 0

Topological Properties
Globularity: 0.0681172	Sterimol/B1: 3.83897	Sterimol/B2: 3.9646	Sterimol/B3: 4.13859
Sterimol/B4: 6.64724	Sterimol/L: 17.9842

Surface and Volume Properties
Accessible surface: 626.698	Positive charged surface: 323.266	Negative charged surface: 303.432	Volume: 341.125
Hydrophobic surface: 497.824	Hydrophilic surface: 128.874

Pharmacophoric Properties
Hydrogen bond donors: 2	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.