MMsINC Database Search


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MMsINC code: MMs02781417

Type: Neutral
Formula: C₂₄H₂₅FN₂O₃S

SMILES:

S(=O)(=O)(N(Cc1ccc(F)cc1)CC(=O)NCc1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C24H25FN2O3S/c1-18-3-7-20(8-4-18)15-26-24(28)17-27(16-21-9-11-22(25)12-10-21)31(29,30)23-13-5-19(2)6-14-23/h3-14H,15-17H2,1-2H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.7216 kcal/mol

Physical Properties
Molecular Weight: 440.539 g/mol	logS: -6.24963	SlogP: 4.48264	Reactive groups: 0

Topological Properties
Globularity: 0.0629546	Sterimol/B1: 3.92692	Sterimol/B2: 4.0581	Sterimol/B3: 6.14331
Sterimol/B4: 9.6054	Sterimol/L: 17.9445

Surface and Volume Properties
Accessible surface: 729.147	Positive charged surface: 410.394	Negative charged surface: 318.753	Volume: 413.875
Hydrophobic surface: 641.589	Hydrophilic surface: 87.558

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.