MMsINC Database Search


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MMsINC code: MMs00282345

Type: Neutral
Formula: C₂₀H₂₆N₂O₃S

SMILES:

S(=O)(=O)(N(Cc1ccccc1)CC(=O)NC(C)(C)C)c1ccc(cc1)C

InChI:

InChI=1/C20H26N2O3S/c1-16-10-12-18(13-11-16)26(24,25)22(14-17-8-6-5-7-9-17)15-19(23)21-20(2,3)4/h5-13H,14-15H2,1-4H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.103 kcal/mol

Physical Properties
Molecular Weight: 374.505 g/mol	logS: -4.69446	SlogP: 3.36702	Reactive groups: 0

Topological Properties
Globularity: 0.103804	Sterimol/B1: 2.37683	Sterimol/B2: 2.96385	Sterimol/B3: 5.09567
Sterimol/B4: 10.2141	Sterimol/L: 15.3759

Surface and Volume Properties
Accessible surface: 621.793	Positive charged surface: 376.118	Negative charged surface: 245.675	Volume: 366.25
Hydrophobic surface: 504.132	Hydrophilic surface: 117.661

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.