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MMsINC code: MMs01155893

Type: Neutral
Formula: C₂₃H₃₂N₂O

SMILES:

O(Cc1ccccc1)c1ccc(cc1)CNCCCN1CCCCC1C

InChI:

InChI=1/C23H32N2O/c1-20-8-5-6-16-25(20)17-7-15-24-18-21-11-13-23(14-12-21)26-19-22-9-3-2-4-10-22/h2-4,9-14,20,24H,5-8,15-19H2,1H3/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9107 kcal/mol

Physical Properties
Molecular Weight: 352.522 g/mol	logS: -4.12468	SlogP: 5.1525	Reactive groups: 0

Topological Properties
Globularity: 0.0278202	Sterimol/B1: 2.49856	Sterimol/B2: 3.10221	Sterimol/B3: 4.85885
Sterimol/B4: 6.31768	Sterimol/L: 22.7799

Surface and Volume Properties
Accessible surface: 715.701	Positive charged surface: 510.3	Negative charged surface: 205.401	Volume: 386
Hydrophobic surface: 665.793	Hydrophilic surface: 49.908

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs01155894
COMGENEX-ZINC04732401