MMsINC Database Search


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MMsINC code: MMs00638821

Type: Neutral
Formula: C₂₃H₁₈N₂O₂

SMILES:

O(C)c1cc(ccc1)-c1nc2c(cccc2)c(c1)C(=O)Nc1ccccc1

InChI:

InChI=1/C23H18N2O2/c1-27-18-11-7-8-16(14-18)22-15-20(19-12-5-6-13-21(19)25-22)23(26)24-17-9-3-2-4-10-17/h2-15H,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.881 kcal/mol

Physical Properties
Molecular Weight: 354.409 g/mol	logS: -6.38897	SlogP: 5.1627	Reactive groups: 0

Topological Properties
Globularity: 0.0106989	Sterimol/B1: 2.72712	Sterimol/B2: 2.76131	Sterimol/B3: 4.1311
Sterimol/B4: 8.89478	Sterimol/L: 18.7397

Surface and Volume Properties
Accessible surface: 626.478	Positive charged surface: 360.397	Negative charged surface: 254.423	Volume: 344.875
Hydrophobic surface: 569.512	Hydrophilic surface: 56.966

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.