MMsINC Database Search


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MMsINC code: MMs03610275

Type: Neutral
Formula: C₁₉H₂₃NO

SMILES:

Oc1c(cc(cc1C)\C=N\c1ccc(cc1)C(C)(C)C)C

InChI:

InChI=1/C19H23NO/c1-13-10-15(11-14(2)18(13)21)12-20-17-8-6-16(7-9-17)19(3,4)5/h6-12,21H,1-5H3/b20-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.4437 kcal/mol

Physical Properties
Molecular Weight: 281.399 g/mol	logS: -5.28819	SlogP: 5.05714	Reactive groups: 0

Topological Properties
Globularity: 0.035272	Sterimol/B1: 2.2265	Sterimol/B2: 3.09532	Sterimol/B3: 3.79568
Sterimol/B4: 7.0021	Sterimol/L: 16.9652

Surface and Volume Properties
Accessible surface: 572.764	Positive charged surface: 371.345	Negative charged surface: 201.42	Volume: 307.75
Hydrophobic surface: 468.092	Hydrophilic surface: 104.672

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.