MMsINC Database Search


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MMsINC code: MMs01345848

Type: Neutral
Formula: C₂₃H₁₈N₂O₂

SMILES:

O(c1cc(ccc1)C)c1ccc(NC(=O)c2nc3c(cc2)cccc3)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.688 kcal/mol

Physical Properties
Molecular Weight: 354.409 g/mol	logS: -6.35296	SlogP: 5.58782	Reactive groups: 0

Topological Properties
Globularity: 0.0395383	Sterimol/B1: 4.03926	Sterimol/B2: 4.19912	Sterimol/B3: 4.20855
Sterimol/B4: 4.30809	Sterimol/L: 21.24

Surface and Volume Properties
Accessible surface: 641.699	Positive charged surface: 359.635	Negative charged surface: 276.649	Volume: 348.625
Hydrophobic surface: 577.483	Hydrophilic surface: 64.216

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.