MMsINC Database Search


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MMsINC code: MMs02748941

Type: Neutral
Formula: C₂₄H₂₆N₂O₃S

SMILES:

S(=O)(=O)(N(Cc1ccccc1C)c1ccc(cc1)C(=O)Nc1ccccc1CC)C

InChI:

InChI=1/C24H26N2O3S/c1-4-19-10-7-8-12-23(19)25-24(27)20-13-15-22(16-14-20)26(30(3,28)29)17-21-11-6-5-9-18(21)2/h5-16H,4,17H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.263 kcal/mol

Physical Properties
Molecular Weight: 422.549 g/mol	logS: -6.18594	SlogP: 5.04229	Reactive groups: 0

Topological Properties
Globularity: 0.0665457	Sterimol/B1: 2.86379	Sterimol/B2: 3.44582	Sterimol/B3: 5.28193
Sterimol/B4: 8.93455	Sterimol/L: 17.1886

Surface and Volume Properties
Accessible surface: 696.698	Positive charged surface: 385.249	Negative charged surface: 311.449	Volume: 406.75
Hydrophobic surface: 592.299	Hydrophilic surface: 104.399

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.