MMsINC Database Search


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MMsINC code: MMs00771070

Type: Neutral
Formula: C₁₉H₂₀N₂O

SMILES:

O=C1N(C=Nc2c1cccc2)Cc1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C19H20N2O/c1-19(2,3)15-10-8-14(9-11-15)12-21-13-20-17-7-5-4-6-16(17)18(21)22/h4-11,13H,12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.5072 kcal/mol

Physical Properties
Molecular Weight: 292.382 g/mol	logS: -5.76922	SlogP: 4.5663	Reactive groups: 0

Topological Properties
Globularity: 0.120318	Sterimol/B1: 3.13259	Sterimol/B2: 3.62946	Sterimol/B3: 4.8408
Sterimol/B4: 5.06558	Sterimol/L: 15.6311

Surface and Volume Properties
Accessible surface: 537.163	Positive charged surface: 337.677	Negative charged surface: 199.486	Volume: 299.75
Hydrophobic surface: 417.869	Hydrophilic surface: 119.294

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.