MMsINC Database Search


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MMsINC code: MMs00862446

Type: Neutral
Formula: C₁₉H₁₅FN₂O₃S

SMILES:

S(=O)(=O)(Nc1ccc(F)cc1)c1ccc(NC(=O)c2ccccc2)cc1

InChI:

InChI=1/C19H15FN2O3S/c20-15-6-8-17(9-7-15)22-26(24,25)18-12-10-16(11-13-18)21-19(23)14-4-2-1-3-5-14/h1-13,22H,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.8747 kcal/mol

Physical Properties
Molecular Weight: 370.404 g/mol	logS: -5.31169	SlogP: 3.8788	Reactive groups: 0

Topological Properties
Globularity: 0.0938952	Sterimol/B1: 3.84621	Sterimol/B2: 4.46153	Sterimol/B3: 4.86208
Sterimol/B4: 5.95139	Sterimol/L: 16.3109

Surface and Volume Properties
Accessible surface: 591.205	Positive charged surface: 290.696	Negative charged surface: 300.509	Volume: 323.625
Hydrophobic surface: 475.375	Hydrophilic surface: 115.83

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.