MMsINC Database Search


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MMsINC code: MMs00479348

Type: Neutral
Formula: C₂₃H₁₉NO₂

SMILES:

O(Cc1ccccc1)C1=CC(=O)N(c2c1cccc2)Cc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.2861 kcal/mol

Physical Properties
Molecular Weight: 341.41 g/mol	logS: -5.73141	SlogP: 5.3239	Reactive groups: 0

Topological Properties
Globularity: 0.0925765	Sterimol/B1: 2.46226	Sterimol/B2: 3.42054	Sterimol/B3: 5.63109
Sterimol/B4: 7.49542	Sterimol/L: 17.105

Surface and Volume Properties
Accessible surface: 613.562	Positive charged surface: 338.98	Negative charged surface: 274.582	Volume: 342
Hydrophobic surface: 569.373	Hydrophilic surface: 44.189

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.