MMsINC Database Search


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MMsINC code: MMs01508362

Type: Neutral
Formula: C₂₀H₁₆F₂N₂O₃S

SMILES:

S(=O)(=O)(Nc1ccc(F)cc1)c1ccc(cc1)C(=O)NCc1ccc(F)cc1

InChI:

InChI=1/C20H16F2N2O3S/c21-16-5-1-14(2-6-16)13-23-20(25)15-3-11-19(12-4-15)28(26,27)24-18-9-7-17(22)8-10-18/h1-12,24H,13H2,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.6164 kcal/mol

Physical Properties
Molecular Weight: 402.421 g/mol	logS: -5.55071	SlogP: 3.962	Reactive groups: 0

Topological Properties
Globularity: 0.0856427	Sterimol/B1: 3.21762	Sterimol/B2: 3.71564	Sterimol/B3: 5.07174
Sterimol/B4: 6.75969	Sterimol/L: 18.2115

Surface and Volume Properties
Accessible surface: 637.518	Positive charged surface: 313.61	Negative charged surface: 323.908	Volume: 343.125
Hydrophobic surface: 510.527	Hydrophilic surface: 126.991

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.