MMsINC Database Search


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MMsINC code: MMs00145829

Type: Neutral
Formula: C₂₄H₂₆N₂O₄S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1cc(OC)ccc1)c1ccccc1CC)c1ccc(cc1)C

InChI:

InChI=1/C24H26N2O4S/c1-4-19-8-5-6-11-23(19)26(31(28,29)22-14-12-18(2)13-15-22)17-24(27)25-20-9-7-10-21(16-20)30-3/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)=143.057 kcal/mol

Physical Properties
Molecular Weight: 438.548 g/mol	logS: -6.31872	SlogP: 4.39999	Reactive groups: 0

Topological Properties
Globularity: 0.134096	Sterimol/B1: 2.26229	Sterimol/B2: 5.01912	Sterimol/B3: 5.9169
Sterimol/B4: 9.60023	Sterimol/L: 16.9536

Surface and Volume Properties
Accessible surface: 702.271	Positive charged surface: 433.37	Negative charged surface: 268.901	Volume: 415.875
Hydrophobic surface: 601.763	Hydrophilic surface: 100.508

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.