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MMsINC code: MMs02026568

Type: Neutral
Formula: C₂₄H₃₄N₂O₃

SMILES:

O(CCOCC(O)CN1CCN(CC1)c1ccccc1)c1ccccc1C(C)C

InChI:

InChI=1/C24H34N2O3/c1-20(2)23-10-6-7-11-24(23)29-17-16-28-19-22(27)18-25-12-14-26(15-13-25)21-8-4-3-5-9-21/h3-11,20,22,27H,12-19H2,1-2H3/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=183.1 kcal/mol

Physical Properties
Molecular Weight: 398.547 g/mol	logS: -4.33475	SlogP: 3.3885	Reactive groups: 0

Topological Properties
Globularity: 0.0677021	Sterimol/B1: 2.35462	Sterimol/B2: 3.43434	Sterimol/B3: 6.83801
Sterimol/B4: 6.9427	Sterimol/L: 21.2478

Surface and Volume Properties
Accessible surface: 757.074	Positive charged surface: 551.534	Negative charged surface: 205.54	Volume: 418.375
Hydrophobic surface: 664.126	Hydrophilic surface: 92.948

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02026569
IFLAB-ZINC04188915