MMsINC Database Search


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MMsINC code: MMs00693793

Type: Neutral
Formula: C₂₃H₁₈N₂O₂

SMILES:

O(Cc1ccc(cc1)-c1nc2c(cccc2)c(c1)C(=O)N)c1ccccc1

InChI:

InChI=1/C23H18N2O2/c24-23(26)20-14-22(25-21-9-5-4-8-19(20)21)17-12-10-16(11-13-17)15-27-18-6-2-1-3-7-18/h1-14H,15H2,(H2,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.642 kcal/mol

Physical Properties
Molecular Weight: 354.409 g/mol	logS: -6.439	SlogP: 4.8461	Reactive groups: 0

Topological Properties
Globularity: 0.0299452	Sterimol/B1: 3.61429	Sterimol/B2: 3.65237	Sterimol/B3: 5.01064
Sterimol/B4: 5.80357	Sterimol/L: 20.3007

Surface and Volume Properties
Accessible surface: 645.453	Positive charged surface: 345.772	Negative charged surface: 286.906	Volume: 347.625
Hydrophobic surface: 519.092	Hydrophilic surface: 126.361

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.