MMsINC Database Search


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MMsINC code: MMs02756331

Type: Neutral
Formula: C₂₂H₁₆N₂O₄

SMILES:

Oc1ccccc1NC(=O)c1cc(N2C(=O)c3c(cccc3)C2=O)c(cc1)C

InChI:

InChI=1/C22H16N2O4/c1-13-10-11-14(20(26)23-17-8-4-5-9-19(17)25)12-18(13)24-21(27)15-6-2-3-7-16(15)22(24)28/h2-12,25H,1H3,(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.428 kcal/mol

Physical Properties
Molecular Weight: 372.38 g/mol	logS: -5.5271	SlogP: 3.75352	Reactive groups: 0

Topological Properties
Globularity: 0.0486783	Sterimol/B1: 2.46949	Sterimol/B2: 3.69078	Sterimol/B3: 4.47002
Sterimol/B4: 7.88538	Sterimol/L: 18.4375

Surface and Volume Properties
Accessible surface: 628.202	Positive charged surface: 324.974	Negative charged surface: 303.228	Volume: 341
Hydrophobic surface: 480.342	Hydrophilic surface: 147.86

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.