MMsINC Database Search


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MMsINC code: MMs02961962

Type: Neutral
Formula: C₂₃H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(Cc1ccc(cc1)C(=O)NCc1ccccc1OC)c1ccccc1)C

InChI:

InChI=1/C23H24N2O4S/c1-29-22-11-7-6-8-20(22)16-24-23(26)19-14-12-18(13-15-19)17-25(30(2,27)28)21-9-4-3-5-10-21/h3-15H,16-17H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.9165 kcal/mol

Physical Properties
Molecular Weight: 424.521 g/mol	logS: -5.03075	SlogP: 4.1242	Reactive groups: 0

Topological Properties
Globularity: 0.121848	Sterimol/B1: 2.36886	Sterimol/B2: 4.51472	Sterimol/B3: 6.57756
Sterimol/B4: 7.19478	Sterimol/L: 16.773

Surface and Volume Properties
Accessible surface: 697.521	Positive charged surface: 411.218	Negative charged surface: 286.303	Volume: 399.5
Hydrophobic surface: 580.598	Hydrophilic surface: 116.923

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.