MMsINC Database Search


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MMsINC code: MMs02762394

Type: Neutral
Formula: C₂₄H₂₂N₂O₂S

SMILES:

S(=O)(=O)(Nc1ccc(cc1)-c1ccccc1)c1c2c(ccc1)c(N(C)C)ccc2

InChI:

InChI=1/C24H22N2O2S/c1-26(2)23-12-6-11-22-21(23)10-7-13-24(22)29(27,28)25-20-16-14-19(15-17-20)18-8-4-3-5-9-18/h3-17,25H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=149.829 kcal/mol

Physical Properties
Molecular Weight: 402.518 g/mol	logS: -7.27839	SlogP: 5.3736	Reactive groups: 0

Topological Properties
Globularity: 0.13539	Sterimol/B1: 3.70734	Sterimol/B2: 4.5643	Sterimol/B3: 5.0393
Sterimol/B4: 7.65033	Sterimol/L: 16.9025

Surface and Volume Properties
Accessible surface: 649.348	Positive charged surface: 373.172	Negative charged surface: 260.072	Volume: 386.125
Hydrophobic surface: 577.074	Hydrophilic surface: 72.274

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.