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MMsINC code: MMs03477624

Type: Neutral
Formula: C₂₃H₂₄N₂O

SMILES:

O(Cc1ccccc1)c1cc2c(cc1)C(NCC2)c1ncc(cc1)CC

InChI:

InChI=1/C23H24N2O/c1-2-17-8-11-22(25-15-17)23-21-10-9-20(14-19(21)12-13-24-23)26-16-18-6-4-3-5-7-18/h3-11,14-15,23-24H,2,12-13,16H2,1H3/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.262 kcal/mol

Physical Properties
Molecular Weight: 344.458 g/mol	logS: -4.4659	SlogP: 4.81994	Reactive groups: 0

Topological Properties
Globularity: 0.062197	Sterimol/B1: 2.37329	Sterimol/B2: 3.50859	Sterimol/B3: 3.76972
Sterimol/B4: 10.444	Sterimol/L: 18.1197

Surface and Volume Properties
Accessible surface: 647.684	Positive charged surface: 439.01	Negative charged surface: 208.675	Volume: 358.5
Hydrophobic surface: 585.601	Hydrophilic surface: 62.083

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03477625
PUBCHEM-ZINC05985231