MMsINC Database Search


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MMsINC code: MMs00977912

Type: Neutral
Formula: C₂₀H₁₉FN₂O₃S₂

SMILES:

s1cccc1S(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)c1ccc(cc1)C

InChI:

InChI=1/C20H19FN2O3S2/c1-15-4-10-18(11-5-15)23(28(25,26)20-3-2-12-27-20)14-19(24)22-13-16-6-8-17(21)9-7-16/h2-12H,13-14H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.8823 kcal/mol

Physical Properties
Molecular Weight: 418.513 g/mol	logS: -5.79668	SlogP: 3.97372	Reactive groups: 0

Topological Properties
Globularity: 0.0851992	Sterimol/B1: 2.23806	Sterimol/B2: 3.30276	Sterimol/B3: 4.63092
Sterimol/B4: 11.1121	Sterimol/L: 16.9282

Surface and Volume Properties
Accessible surface: 671.85	Positive charged surface: 341.988	Negative charged surface: 329.862	Volume: 368.125
Hydrophobic surface: 580.339	Hydrophilic surface: 91.511

Pharmacophoric Properties
Hydrogen bond donors: 1	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.