MMsINC Database Search


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MMsINC code: MMs01016320

Type: Neutral
Formula: C₁₉H₂₀N₂O

SMILES:

O(Cc1nc2c(n1CC)cccc2)c1ccccc1CC=C

InChI:

InChI=1/C19H20N2O/c1-3-9-15-10-5-8-13-18(15)22-14-19-20-16-11-6-7-12-17(16)21(19)4-2/h3,5-8,10-13H,1,4,9,14H2,2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.2766 kcal/mol

Physical Properties
Molecular Weight: 292.382 g/mol	logS: -4.83406	SlogP: 4.89647	Reactive groups: 0

Topological Properties
Globularity: 0.149828	Sterimol/B1: 2.26145	Sterimol/B2: 3.15003	Sterimol/B3: 6.32427
Sterimol/B4: 7.2083	Sterimol/L: 15.5064

Surface and Volume Properties
Accessible surface: 560.97	Positive charged surface: 336.397	Negative charged surface: 224.574	Volume: 306.625
Hydrophobic surface: 464.632	Hydrophilic surface: 96.338

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: 1

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Ions/Tautomers related molecules: no related molecules available.