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MMsINC code: MMs00767177

Type: Neutral
Formula: C₂₃H₃₂N₂O₂

SMILES:

O(C(C)C)CC(O)CN1CCN(CC1)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H32N2O2/c1-19(2)27-18-22(26)17-24-13-15-25(16-14-24)23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,19,22-23,26H,13-18H2,1-2H3/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.703 kcal/mol

Physical Properties
Molecular Weight: 368.521 g/mol	logS: -3.66548	SlogP: 3.275	Reactive groups: 0

Topological Properties
Globularity: 0.065065	Sterimol/B1: 2.91204	Sterimol/B2: 4.85568	Sterimol/B3: 5.38179
Sterimol/B4: 6.14249	Sterimol/L: 18.6978

Surface and Volume Properties
Accessible surface: 696.396	Positive charged surface: 491.408	Negative charged surface: 204.987	Volume: 390.875
Hydrophobic surface: 608.287	Hydrophilic surface: 88.109

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

MMs00767178
CHEMBRIDGE-ZINC04275523