MMsINC Database Search


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MMsINC code: MMs02079466

Type: Neutral
Formula: C₂₀H₁₇FN₂O₃S

SMILES:

S(=O)(=O)(Nc1ccc(cc1)C(=O)NCc1ccccc1)c1ccc(F)cc1

InChI:

InChI=1/C20H17FN2O3S/c21-17-8-12-19(13-9-17)27(25,26)23-18-10-6-16(7-11-18)20(24)22-14-15-4-2-1-3-5-15/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)=57.6887 kcal/mol

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

Topological Properties
Globularity: 0.100538	Sterimol/B1: 3.44796	Sterimol/B2: 3.7231	Sterimol/B3: 5.50566
Sterimol/B4: 5.74593	Sterimol/L: 16.8972

Surface and Volume Properties
Accessible surface: 632.643	Positive charged surface: 319.23	Negative charged surface: 313.413	Volume: 342.875
Hydrophobic surface: 504.61	Hydrophilic surface: 128.033

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.