MMsINC Database Search


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MMsINC code: MMs01367152

Type: Neutral
Formula: C₂₃H₁₈N₂O₃

SMILES:

O(C(=O)c1ccc(cc1)C#N)CC(=O)NC(c1ccccc1)c1ccccc1

InChI:

InChI=1/C23H18N2O3/c24-15-17-11-13-20(14-12-17)23(27)28-16-21(26)25-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,16H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.7056 kcal/mol

Physical Properties
Molecular Weight: 370.408 g/mol	logS: -5.82591	SlogP: 3.71638	Reactive groups: 0

Topological Properties
Globularity: 0.081481	Sterimol/B1: 2.45082	Sterimol/B2: 3.38898	Sterimol/B3: 5.14262
Sterimol/B4: 8.42862	Sterimol/L: 19.8101

Surface and Volume Properties
Accessible surface: 676.777	Positive charged surface: 353.707	Negative charged surface: 323.07	Volume: 362
Hydrophobic surface: 519.922	Hydrophilic surface: 156.855

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.