MMsINC Database Search


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MMsINC code: MMs01370874

Type: Neutral
Formula: C₁₉H₂₀N₂O

SMILES:

O=C(N1CCc2c1cccc2)CN1CCc2c(C1)cccc2

InChI:

InChI=1/C19H20N2O/c22-19(21-12-10-16-6-3-4-8-18(16)21)14-20-11-9-15-5-1-2-7-17(15)13-20/h1-8H,9-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.936 kcal/mol

Physical Properties
Molecular Weight: 292.382 g/mol	logS: -3.51451	SlogP: 2.90034	Reactive groups: 0

Topological Properties
Globularity: 0.0460334	Sterimol/B1: 2.88076	Sterimol/B2: 3.65361	Sterimol/B3: 3.99941
Sterimol/B4: 5.17443	Sterimol/L: 16.5879

Surface and Volume Properties
Accessible surface: 545.565	Positive charged surface: 356.57	Negative charged surface: 188.995	Volume: 294.5
Hydrophobic surface: 513.158	Hydrophilic surface: 32.407

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

search links for this molecule:

Ions/Tautomers related molecules

MMs01370875
ENAMINE-ZINC03322288