MMsINC Database Search


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MMsINC code: MMs02992303

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O(Cc1ccccc1)c1cc(ccc1OC)\C=N\C(C)(C)C

InChI:

InChI=1/C19H23NO2/c1-19(2,3)20-13-16-10-11-17(21-4)18(12-16)22-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3/b20-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.2307 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -4.33605	SlogP: 4.758	Reactive groups: 0

Topological Properties
Globularity: 0.0596884	Sterimol/B1: 2.18914	Sterimol/B2: 2.37454	Sterimol/B3: 4.87469
Sterimol/B4: 8.47155	Sterimol/L: 17.6525

Surface and Volume Properties
Accessible surface: 612.019	Positive charged surface: 409.857	Negative charged surface: 202.162	Volume: 315
Hydrophobic surface: 531.902	Hydrophilic surface: 80.117

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.