MMsINC Database Search


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MMsINC code: MMs03502558

Type: Neutral
Formula: C₂₃H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N(Cc1ccc(cc1)C)CC(=O)NCc1ccccc1)c1ccccc1

InChI:

InChI=1/C23H24N2O3S/c1-19-12-14-21(15-13-19)17-25(29(27,28)22-10-6-3-7-11-22)18-23(26)24-16-20-8-4-2-5-9-20/h2-15H,16-18H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.3729 kcal/mol

Physical Properties
Molecular Weight: 408.522 g/mol	logS: -5.48073	SlogP: 4.03512	Reactive groups: 0

Topological Properties
Globularity: 0.109667	Sterimol/B1: 2.33957	Sterimol/B2: 2.88386	Sterimol/B3: 5.98736
Sterimol/B4: 8.44245	Sterimol/L: 17.2398

Surface and Volume Properties
Accessible surface: 682.154	Positive charged surface: 380.535	Negative charged surface: 301.618	Volume: 394.25
Hydrophobic surface: 578.477	Hydrophilic surface: 103.677

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.