MMsINC Database Search


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MMsINC code: MMs00785861

Type: Neutral
Formula: C₂₃H₁₈N₂O₃

SMILES:

O(c1ccc(NC(=O)Cn2cc(c3c2cccc3)C=O)cc1)c1ccccc1

InChI:

InChI=1/C23H18N2O3/c26-16-17-14-25(22-9-5-4-8-21(17)22)15-23(27)24-18-10-12-20(13-11-18)28-19-6-2-1-3-7-19/h1-14,16H,15H2,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.118 kcal/mol

Physical Properties
Molecular Weight: 370.408 g/mol	logS: -5.35404	SlogP: 5.1512	Reactive groups: 1

Topological Properties
Globularity: 0.0709505	Sterimol/B1: 3.50096	Sterimol/B2: 4.4225	Sterimol/B3: 4.53304
Sterimol/B4: 6.26659	Sterimol/L: 18.584

Surface and Volume Properties
Accessible surface: 650.231	Positive charged surface: 364.126	Negative charged surface: 281.059	Volume: 354.375
Hydrophobic surface: 540.897	Hydrophilic surface: 109.334

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.