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MMsINC code: MMs00795780

Type: Neutral
Formula: C₂₄H₃₂N₂O₄

SMILES:

O(CCOCCN1CCN(CC1)Cc1ccccc1)c1ccc(cc1OC)C(=O)C

InChI:

InChI=1/C24H32N2O4/c1-20(27)22-8-9-23(24(18-22)28-2)30-17-16-29-15-14-25-10-12-26(13-11-25)19-21-6-4-3-5-7-21/h3-9,18H,10-17,19H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.075 kcal/mol

Physical Properties
Molecular Weight: 412.53 g/mol	logS: -3.65307	SlogP: 3.3774	Reactive groups: 0

Topological Properties
Globularity: 0.0825277	Sterimol/B1: 2.03558	Sterimol/B2: 4.06181	Sterimol/B3: 5.12403
Sterimol/B4: 8.70079	Sterimol/L: 20.98

Surface and Volume Properties
Accessible surface: 772.508	Positive charged surface: 585.769	Negative charged surface: 186.739	Volume: 419.25
Hydrophobic surface: 708.749	Hydrophilic surface: 63.759

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	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

MMs00795781
CHEMBRIDGE-ZINC04833665