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MMsINC code: MMs00957922

Type: Neutral
Formula: C₂₃H₂₂N₂O₂

SMILES:

O(CC(=O)NCCn1c2c(cc1C)cccc2)c1cc2c(cc1)cccc2

InChI:

InChI=1/C23H22N2O2/c1-17-14-20-8-4-5-9-22(20)25(17)13-12-24-23(26)16-27-21-11-10-18-6-2-3-7-19(18)15-21/h2-11,14-15H,12-13,16H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.5859 kcal/mol

Physical Properties
Molecular Weight: 358.441 g/mol	logS: -5.77735	SlogP: 4.56452	Reactive groups: 0

Topological Properties
Globularity: 0.0411912	Sterimol/B1: 2.19841	Sterimol/B2: 3.77595	Sterimol/B3: 4.40387
Sterimol/B4: 8.3212	Sterimol/L: 21.3377

Surface and Volume Properties
Accessible surface: 660.395	Positive charged surface: 376.352	Negative charged surface: 268.895	Volume: 363.5
Hydrophobic surface: 595.725	Hydrophilic surface: 64.67

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.