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MMsINC code: MMs01275525

Type: Neutral
Formula: C₂₀H₂₄N₂O₅S

SMILES:

S(=O)(=O)(N)c1ccc(cc1)CCNC(=O)COc1c2OC(Cc2ccc1)(C)C

InChI:

InChI=1/C20H24N2O5S/c1-20(2)12-15-4-3-5-17(19(15)27-20)26-13-18(23)22-11-10-14-6-8-16(9-7-14)28(21,24)25/h3-9H,10-13H2,1-2H3,(H,22,23)(H2,21,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.4487 kcal/mol

Physical Properties
Molecular Weight: 404.487 g/mol	logS: -4.55248	SlogP: 1.78514	Reactive groups: 0

Topological Properties
Globularity: 0.0286424	Sterimol/B1: 2.35121	Sterimol/B2: 2.69677	Sterimol/B3: 4.59891
Sterimol/B4: 8.27092	Sterimol/L: 21.5564

Surface and Volume Properties
Accessible surface: 700.213	Positive charged surface: 429.053	Negative charged surface: 271.161	Volume: 370.75
Hydrophobic surface: 460.109	Hydrophilic surface: 240.104

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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

MMs01275526
ENAMINE-ZINC02651203