MMsINC Database Search


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MMsINC code: MMs01859515

Type: Neutral
Formula: C₂₃H₁₆N₂O₄

SMILES:

O1c2c(C=C(c3cc(ccc3)C(=O)Nc3ccccc3C(=O)N)C1=O)cccc2

InChI:

InChI=1/C23H16N2O4/c24-21(26)17-9-2-3-10-19(17)25-22(27)16-8-5-7-14(12-16)18-13-15-6-1-4-11-20(15)29-23(18)28/h1-13H,(H2,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.266 kcal/mol

Physical Properties
Molecular Weight: 384.391 g/mol	logS: -6.7706	SlogP: 3.4974	Reactive groups: 0

Topological Properties
Globularity: 0.0393045	Sterimol/B1: 2.90711	Sterimol/B2: 4.48717	Sterimol/B3: 4.98649
Sterimol/B4: 6.20967	Sterimol/L: 19.191

Surface and Volume Properties
Accessible surface: 638.524	Positive charged surface: 344.482	Negative charged surface: 294.043	Volume: 353.25
Hydrophobic surface: 461.107	Hydrophilic surface: 177.417

Pharmacophoric Properties
Hydrogen bond donors: 2	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.