MMsINC Database Search


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MMsINC code: MMs02259815

Type: Neutral
Formula: C₁₈H₁₉NO₂

SMILES:

O(c1ccc(cc1)C(=O)C(CN(C)C)=C)c1ccccc1

InChI:

InChI=1/C18H19NO2/c1-14(13-19(2)3)18(20)15-9-11-17(12-10-15)21-16-7-5-4-6-8-16/h4-12H,1,13H2,2-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.7363 kcal/mol

Physical Properties
Molecular Weight: 281.355 g/mol	logS: -3.87621	SlogP: 3.7794	Reactive groups: 1

Topological Properties
Globularity: 0.0627069	Sterimol/B1: 1.969	Sterimol/B2: 3.1244	Sterimol/B3: 3.90456
Sterimol/B4: 6.8994	Sterimol/L: 15.9363

Surface and Volume Properties
Accessible surface: 551.349	Positive charged surface: 357.34	Negative charged surface: 194.009	Volume: 292.625
Hydrophobic surface: 489.494	Hydrophilic surface: 61.855

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02259816
NCID-ZINC01608311