MMsINC Database Search


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MMsINC code: MMs02749012

Type: Neutral
Formula: C₂₄H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(Cc1ccccc1C)c1ccc(cc1)C(=O)Nc1cc(ccc1)C(=O)C)C

InChI:

InChI=1/C24H24N2O4S/c1-17-7-4-5-8-21(17)16-26(31(3,29)30)23-13-11-19(12-14-23)24(28)25-22-10-6-9-20(15-22)18(2)27/h4-15H,16H2,1-3H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.199 kcal/mol

Physical Properties
Molecular Weight: 436.532 g/mol	logS: -5.82252	SlogP: 4.68252	Reactive groups: 0

Topological Properties
Globularity: 0.0809307	Sterimol/B1: 2.44165	Sterimol/B2: 3.77371	Sterimol/B3: 4.98322
Sterimol/B4: 6.85342	Sterimol/L: 19.9607

Surface and Volume Properties
Accessible surface: 678.144	Positive charged surface: 363.549	Negative charged surface: 314.595	Volume: 406.375
Hydrophobic surface: 536.398	Hydrophilic surface: 141.746

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.