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MMsINC code: MMs00794891

Type: Neutral
Formula: C₂₄H₃₂N₂O₂

SMILES:

O(CCCN1CCN(CC1)Cc1ccccc1)c1ccc(cc1OC)CC=C

InChI:

InChI=1/C24H32N2O2/c1-3-8-21-11-12-23(24(19-21)27-2)28-18-7-13-25-14-16-26(17-15-25)20-22-9-5-4-6-10-22/h3-6,9-12,19H,1,7-8,13-18,20H2,2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.224 kcal/mol

Physical Properties
Molecular Weight: 380.532 g/mol	logS: -4.87154	SlogP: 4.27677	Reactive groups: 0

Topological Properties
Globularity: 0.037616	Sterimol/B1: 2.31162	Sterimol/B2: 2.51853	Sterimol/B3: 5.4513
Sterimol/B4: 8.26715	Sterimol/L: 21.8322

Surface and Volume Properties
Accessible surface: 747.215	Positive charged surface: 558.709	Negative charged surface: 188.506	Volume: 405.875
Hydrophobic surface: 677.862	Hydrophilic surface: 69.353

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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

MMs00794892
CHEMBRIDGE-ZINC04832151