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MMsINC code: MMs00800166

Type: Neutral
Formula: C₂₃H₃₂N₂O₂

SMILES:

O(CCOCCN1CCN(CC1)C)c1ccc(cc1Cc1ccccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.763 kcal/mol

Physical Properties
Molecular Weight: 368.521 g/mol	logS: -3.79937	SlogP: 3.22859	Reactive groups: 0

Topological Properties
Globularity: 0.0934736	Sterimol/B1: 2.25392	Sterimol/B2: 3.86632	Sterimol/B3: 4.46131
Sterimol/B4: 9.86606	Sterimol/L: 17.9182

Surface and Volume Properties
Accessible surface: 711.801	Positive charged surface: 552.857	Negative charged surface: 158.944	Volume: 396.375
Hydrophobic surface: 706.228	Hydrophilic surface: 5.5730000000001

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

MMs00800167
CHEMBRIDGE-ZINC04842798