MMsINC Database Search


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MMsINC code: MMs01894384

Type: Neutral
Formula: C₂₃H₁₉NO₂

SMILES:

O=C(\C=C(\C(=O)N(C)c1ccccc1)/c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H19NO2/c1-24(20-15-9-4-10-16-20)23(26)21(18-11-5-2-6-12-18)17-22(25)19-13-7-3-8-14-19/h2-17H,1H3/b21-17-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.241 kcal/mol

Physical Properties
Molecular Weight: 341.41 g/mol	logS: -5.86354	SlogP: 4.6159	Reactive groups: 1

Topological Properties
Globularity: 0.158849	Sterimol/B1: 2.1915	Sterimol/B2: 5.66944	Sterimol/B3: 5.73596
Sterimol/B4: 8.22456	Sterimol/L: 14.6825

Surface and Volume Properties
Accessible surface: 608.725	Positive charged surface: 329.59	Negative charged surface: 279.135	Volume: 344.25
Hydrophobic surface: 577.161	Hydrophilic surface: 31.564

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: no related molecules available.