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MMsINC code: MMs00600290

Type: Neutral
Formula: C₂₂H₂₄N₂O

SMILES:

O(C)c1cc(N2CCN(CC2)Cc2cc3c(cc2)cccc3)ccc1

InChI:

InChI=1/C22H24N2O/c1-25-22-8-4-7-21(16-22)24-13-11-23(12-14-24)17-18-9-10-19-5-2-3-6-20(19)15-18/h2-10,15-16H,11-14,17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=162.18 kcal/mol

Physical Properties
Molecular Weight: 332.447 g/mol	logS: -5.05518	SlogP: 4.437	Reactive groups: 0

Topological Properties
Globularity: 0.0640114	Sterimol/B1: 2.48003	Sterimol/B2: 3.5617	Sterimol/B3: 3.80963
Sterimol/B4: 7.87106	Sterimol/L: 17.7016

Surface and Volume Properties
Accessible surface: 617.249	Positive charged surface: 422.451	Negative charged surface: 185.829	Volume: 343.5
Hydrophobic surface: 588.117	Hydrophilic surface: 29.132

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs00600291
CHEMBRIDGE-ZINC00277170