MMsINC Database Search


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MMsINC code: MMs01658689

Type: Neutral
Formula: C₂₄H₂₄N₂O₃S

SMILES:

S(=O)(=O)(n1c2c(nc1COc1ccc(cc1)C)cccc2)c1ccc(cc1)C(C)C

InChI:

InChI=1/C24H24N2O3S/c1-17(2)19-10-14-21(15-11-19)30(27,28)26-23-7-5-4-6-22(23)25-24(26)16-29-20-12-8-18(3)9-13-20/h4-15,17H,16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.34 kcal/mol

Physical Properties
Molecular Weight: 420.533 g/mol	logS: -7.37392	SlogP: 5.55052	Reactive groups: 0

Topological Properties
Globularity: 0.120715	Sterimol/B1: 3.09256	Sterimol/B2: 3.86959	Sterimol/B3: 4.582
Sterimol/B4: 9.76178	Sterimol/L: 16.6158

Surface and Volume Properties
Accessible surface: 676.337	Positive charged surface: 371.758	Negative charged surface: 304.579	Volume: 401.5
Hydrophobic surface: 553.774	Hydrophilic surface: 122.563

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.