MMsINC Database Search


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MMsINC code: MMs00681567

Type: Neutral
Formula: C₂₄H₁₉NO₂

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)c2cc3c(cc2)cccc3)cc1

InChI:

InChI=1/C24H19NO2/c26-24(21-11-10-19-8-4-5-9-20(19)16-21)25-22-12-14-23(15-13-22)27-17-18-6-2-1-3-7-18/h1-16H,17H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.833 kcal/mol

Physical Properties
Molecular Weight: 353.421 g/mol	logS: -7.05103	SlogP: 5.9375	Reactive groups: 0

Topological Properties
Globularity: 0.0182579	Sterimol/B1: 3.31683	Sterimol/B2: 3.53846	Sterimol/B3: 4.01333
Sterimol/B4: 4.75079	Sterimol/L: 22.6086

Surface and Volume Properties
Accessible surface: 662.784	Positive charged surface: 353.231	Negative charged surface: 298.236	Volume: 352.25
Hydrophobic surface: 616.127	Hydrophilic surface: 46.657

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.