MMsINC Database Search


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MMsINC code: MMs02377277

Type: Neutral
Formula: C₁₉H₂₃NO

SMILES:

O(CCCCC)c1ccc(cc1)\C=N\c1ccc(cc1)C

InChI:

InChI=1/C19H23NO/c1-3-4-5-14-21-19-12-8-17(9-13-19)15-20-18-10-6-16(2)7-11-18/h6-13,15H,3-5,14H2,1-2H3/b20-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.0481 kcal/mol

Physical Properties
Molecular Weight: 281.399 g/mol	logS: -5.39334	SlogP: 5.31462	Reactive groups: 0

Topological Properties
Globularity: 0.01356	Sterimol/B1: 2.33009	Sterimol/B2: 2.59474	Sterimol/B3: 2.99705
Sterimol/B4: 6.44977	Sterimol/L: 21.6458

Surface and Volume Properties
Accessible surface: 616.376	Positive charged surface: 413.339	Negative charged surface: 203.036	Volume: 310.5
Hydrophobic surface: 570.279	Hydrophilic surface: 46.097

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.