MMsINC Database Search


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MMsINC code: MMs00877561

Type: Neutral
Formula: C₂₄H₁₆N₂O₃

SMILES:

o1c2c(nc1-c1ccc(cc1)-c1ccccc1)cc(NC(=O)c1occc1)cc2

InChI:

InChI=1/C24H16N2O3/c27-23(22-7-4-14-28-22)25-19-12-13-21-20(15-19)26-24(29-21)18-10-8-17(9-11-18)16-5-2-1-3-6-16/h1-15H,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.424 kcal/mol

Physical Properties
Molecular Weight: 380.403 g/mol	logS: -8.84849	SlogP: 6.0071	Reactive groups: 0

Topological Properties
Globularity: 0.00421188	Sterimol/B1: 2.65164	Sterimol/B2: 2.72677	Sterimol/B3: 3.5861
Sterimol/B4: 5.30123	Sterimol/L: 23.7872

Surface and Volume Properties
Accessible surface: 665.151	Positive charged surface: 329.269	Negative charged surface: 324.811	Volume: 360.5
Hydrophobic surface: 572.976	Hydrophilic surface: 92.175

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: 0

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Ions/Tautomers related molecules: no related molecules available.