MMsINC Database Search


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MMsINC code: MMs00591329

Type: Neutral
Formula: C₁₉H₂₀N₂O

SMILES:

O(C)c1cc2c(nc(cc2Nc2cccc(C)c2C)C)cc1

InChI:

InChI=1/C19H20N2O/c1-12-6-5-7-17(14(12)3)21-19-10-13(2)20-18-9-8-15(22-4)11-16(18)19/h5-11H,1-4H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.301 kcal/mol

Physical Properties
Molecular Weight: 292.382 g/mol	logS: -4.5919	SlogP: 4.91226	Reactive groups: 0

Topological Properties
Globularity: 0.0618713	Sterimol/B1: 3.489	Sterimol/B2: 3.51472	Sterimol/B3: 3.88104
Sterimol/B4: 8.16009	Sterimol/L: 14.9095

Surface and Volume Properties
Accessible surface: 555.537	Positive charged surface: 359.785	Negative charged surface: 190.642	Volume: 301.75
Hydrophobic surface: 523.932	Hydrophilic surface: 31.605

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.