MMsINC Database Search


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MMsINC code: MMs03243756

Type: Neutral
Formula: C₂₃H₂₀N₂O

SMILES:

O1CCN(CC1)c1ccc(cc1)-c1c2c(nc3c1cccc3)cccc2

InChI:

InChI=1/C23H20N2O/c1-3-7-21-19(5-1)23(20-6-2-4-8-22(20)24-21)17-9-11-18(12-10-17)25-13-15-26-16-14-25/h1-12H,13-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=173.5 kcal/mol

Physical Properties
Molecular Weight: 340.426 g/mol	logS: -6.46537	SlogP: 4.8916	Reactive groups: 0

Topological Properties
Globularity: 0.0474835	Sterimol/B1: 2.45599	Sterimol/B2: 3.18007	Sterimol/B3: 3.60072
Sterimol/B4: 9.58996	Sterimol/L: 15.6031

Surface and Volume Properties
Accessible surface: 589.967	Positive charged surface: 379.341	Negative charged surface: 200.13	Volume: 338.75
Hydrophobic surface: 540.967	Hydrophilic surface: 49

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: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.