MMsINC Database Search


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MMsINC code: MMs02867924

Type: Neutral
Formula: C₂₃H₂₂N₂O₂

SMILES:

O(CC)c1ccccc1C(=O)Nc1cc2c3c(n(c2cc1)CC)cccc3

InChI:

InChI=1/C23H22N2O2/c1-3-25-20-11-7-5-9-17(20)19-15-16(13-14-21(19)25)24-23(26)18-10-6-8-12-22(18)27-4-2/h5-15H,3-4H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.4195 kcal/mol

Physical Properties
Molecular Weight: 358.441 g/mol	logS: -6.09026	SlogP: 5.7318	Reactive groups: 0

Topological Properties
Globularity: 0.0325662	Sterimol/B1: 2.89667	Sterimol/B2: 3.34414	Sterimol/B3: 3.68908
Sterimol/B4: 7.69564	Sterimol/L: 17.1217

Surface and Volume Properties
Accessible surface: 651.91	Positive charged surface: 395.639	Negative charged surface: 244.007	Volume: 360.875
Hydrophobic surface: 576.432	Hydrophilic surface: 75.478

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.