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MMsINC code: MMs02296577

Type: Neutral
Formula: C₂₆H₂₆N₂O₃

SMILES:

O1CCN(CC1)CCn1cc(c2c1cccc2)C(=O)c1c2c(cc(OC)cc2)ccc1

InChI:

InChI=1/C26H26N2O3/c1-30-20-9-10-21-19(17-20)5-4-7-23(21)26(29)24-18-28(25-8-3-2-6-22(24)25)12-11-27-13-15-31-16-14-27/h2-10,17-18H,11-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.64 kcal/mol

Physical Properties
Molecular Weight: 414.505 g/mol	logS: -5.75923	SlogP: 4.6327	Reactive groups: 0

Topological Properties
Globularity: 0.190696	Sterimol/B1: 2.19963	Sterimol/B2: 2.48821	Sterimol/B3: 7.90339
Sterimol/B4: 10.9452	Sterimol/L: 15.2791

Surface and Volume Properties
Accessible surface: 701.388	Positive charged surface: 477.906	Negative charged surface: 212.028	Volume: 412.25
Hydrophobic surface: 642.318	Hydrophilic surface: 59.07

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: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs02296578
NCID-ZINC01658768