MMsINC Database Search


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MMsINC code: MMs00908538

Type: Neutral
Formula: C₂₀H₂₃FN₂O₃S

SMILES:

S(=O)(=O)(NCc1ccc(cc1)C(=O)N1CCCCCC1)c1ccc(F)cc1

InChI:

InChI=1/C20H23FN2O3S/c21-18-9-11-19(12-10-18)27(25,26)22-15-16-5-7-17(8-6-16)20(24)23-13-3-1-2-4-14-23/h5-12,22H,1-4,13-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.8076 kcal/mol

Physical Properties
Molecular Weight: 390.479 g/mol	logS: -4.2818	SlogP: 3.5868	Reactive groups: 0

Topological Properties
Globularity: 0.0710763	Sterimol/B1: 3.08671	Sterimol/B2: 3.74662	Sterimol/B3: 4.5204
Sterimol/B4: 6.11586	Sterimol/L: 18.5217

Surface and Volume Properties
Accessible surface: 634.884	Positive charged surface: 369.02	Negative charged surface: 265.863	Volume: 354.375
Hydrophobic surface: 521.763	Hydrophilic surface: 113.121

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.