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MMsINC code: MMs00884706

Type: Neutral
Formula: C₂₃H₃₂N₂O₂

SMILES:

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

InChI:

InChI=1/C23H32N2O2/c1-3-19(2)22-11-7-8-12-23(22)27-18-21(26)17-24-13-15-25(16-14-24)20-9-5-4-6-10-20/h4-12,19,21,26H,3,13-18H2,1-2H3/t19-,21+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=173.025 kcal/mol

Physical Properties
Molecular Weight: 368.521 g/mol	logS: -4.70733	SlogP: 3.762	Reactive groups: 0

Topological Properties
Globularity: 0.0329608	Sterimol/B1: 2.11441	Sterimol/B2: 2.89117	Sterimol/B3: 4.40731
Sterimol/B4: 8.9861	Sterimol/L: 19.8361

Surface and Volume Properties
Accessible surface: 697.843	Positive charged surface: 487.977	Negative charged surface: 209.866	Volume: 387.875
Hydrophobic surface: 601.803	Hydrophilic surface: 96.04

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00884707
CHEMDIV-ZINC02694482