MMsINC Database Search


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MMsINC code: MMs00192860

Type: Neutral
Formula: C₂₅H₂₀N₂O

SMILES:

O=C(N1CCc2c(C1)cccc2)c1cc(nc2c1cccc2)-c1ccccc1

InChI:

InChI=1/C25H20N2O/c28-25(27-15-14-18-8-4-5-11-20(18)17-27)22-16-24(19-9-2-1-3-10-19)26-23-13-7-6-12-21(22)23/h1-13,16H,14-15,17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.494 kcal/mol

Physical Properties
Molecular Weight: 364.448 g/mol	logS: -6.36051	SlogP: 5.36667	Reactive groups: 0

Topological Properties
Globularity: 0.165111	Sterimol/B1: 2.43794	Sterimol/B2: 3.97547	Sterimol/B3: 4.72803
Sterimol/B4: 10.2085	Sterimol/L: 15.1569

Surface and Volume Properties
Accessible surface: 627.367	Positive charged surface: 346.355	Negative charged surface: 270.16	Volume: 363.25
Hydrophobic surface: 582.783	Hydrophilic surface: 44.584

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.