MMsINC Database Search


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MMsINC code: MMs02815278

Type: Neutral
Formula: C₁₉H₁₈N₂O

SMILES:

O=C1Nc2c(cccc2)C(=C1)\C=C\c1ccc(N(C)C)cc1

InChI:

InChI=1/C19H18N2O/c1-21(2)16-11-8-14(9-12-16)7-10-15-13-19(22)20-18-6-4-3-5-17(15)18/h3-13H,1-2H3,(H,20,22)/b10-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.1515 kcal/mol

Physical Properties
Molecular Weight: 290.366 g/mol	logS: -5.05281	SlogP: 3.8015	Reactive groups: 0

Topological Properties
Globularity: 0.00450886	Sterimol/B1: 2.36735	Sterimol/B2: 2.42364	Sterimol/B3: 4.7428
Sterimol/B4: 5.71765	Sterimol/L: 17.2525

Surface and Volume Properties
Accessible surface: 548.276	Positive charged surface: 333.009	Negative charged surface: 215.267	Volume: 293
Hydrophobic surface: 474.974	Hydrophilic surface: 73.302

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.