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MMsINC code: MMs01875379

Type: Neutral
Formula: C₂₃H₁₆N₂O₄

SMILES:

Oc1ccc(cc1)\C=C\C1=Nc2c(cccc2)C(=O)N1c1cc(ccc1)C(O)=O

InChI:

InChI=1/C23H16N2O4/c26-18-11-8-15(9-12-18)10-13-21-24-20-7-2-1-6-19(20)22(27)25(21)17-5-3-4-16(14-17)23(28)29/h1-14,26H,(H,28,29)/b13-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.313 kcal/mol

Physical Properties
Molecular Weight: 384.391 g/mol	logS: -5.79049	SlogP: 4.4942	Reactive groups: 0

Topological Properties
Globularity: 0.0835693	Sterimol/B1: 4.19738	Sterimol/B2: 4.28695	Sterimol/B3: 4.58026
Sterimol/B4: 8.94626	Sterimol/L: 16.8106

Surface and Volume Properties
Accessible surface: 641.25	Positive charged surface: 346.003	Negative charged surface: 295.247	Volume: 355.625
Hydrophobic surface: 452.068	Hydrophilic surface: 189.182

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs01875380
IBS-ZINC04027707