MMsINC Database Search


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MMsINC code: MMs00688153

Type: Neutral
Formula: C₂₂H₁₆N₂O₄

SMILES:

Oc1ccc(NC(=O)c2cc3c(cc2)C(=O)N(c2ccccc2C)C3=O)cc1

InChI:

InChI=1/C22H16N2O4/c1-13-4-2-3-5-19(13)24-21(27)17-11-6-14(12-18(17)22(24)28)20(26)23-15-7-9-16(25)10-8-15/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)=120.592 kcal/mol

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

Topological Properties
Globularity: 0.0424285	Sterimol/B1: 2.19445	Sterimol/B2: 3.43845	Sterimol/B3: 4.86339
Sterimol/B4: 5.6734	Sterimol/L: 20.7985

Surface and Volume Properties
Accessible surface: 622.433	Positive charged surface: 323.421	Negative charged surface: 299.013	Volume: 341.625
Hydrophobic surface: 469.146	Hydrophilic surface: 153.287

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.