MMsINC Database Search


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MMsINC code: MMs00906922

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

o1cccc1CNC(=O)c1c2c(nc(-c3ccccc3)c1CC)cccc2

InChI:

InChI=1/C23H20N2O2/c1-2-18-21(23(26)24-15-17-11-8-14-27-17)19-12-6-7-13-20(19)25-22(18)16-9-4-3-5-10-16/h3-14H,2,15H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.9518 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -6.70989	SlogP: 5.25357	Reactive groups: 0

Topological Properties
Globularity: 0.116713	Sterimol/B1: 2.52598	Sterimol/B2: 3.79076	Sterimol/B3: 4.47789
Sterimol/B4: 9.63405	Sterimol/L: 16.0691

Surface and Volume Properties
Accessible surface: 622.455	Positive charged surface: 332.68	Negative charged surface: 283.565	Volume: 353
Hydrophobic surface: 536.305	Hydrophilic surface: 86.15

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.