MMsINC Database Search


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MMsINC code: MMs00479891

Type: Neutral
Formula: C₂₃H₁₉NO₂

SMILES:

O(Cc1ccccc1)C=1c2c(NC(=O)C=1Cc1ccccc1)cccc2

InChI:

InChI=1/C23H19NO2/c25-23-20(15-17-9-3-1-4-10-17)22(19-13-7-8-14-21(19)24-23)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.1408 kcal/mol

Physical Properties
Molecular Weight: 341.41 g/mol	logS: -5.90846	SlogP: 5.07567	Reactive groups: 0

Topological Properties
Globularity: 0.154667	Sterimol/B1: 2.16111	Sterimol/B2: 2.26707	Sterimol/B3: 5.46539
Sterimol/B4: 11.2726	Sterimol/L: 13.8267

Surface and Volume Properties
Accessible surface: 589.001	Positive charged surface: 330.975	Negative charged surface: 258.026	Volume: 340.625
Hydrophobic surface: 525.812	Hydrophilic surface: 63.189

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.