MMsINC Database Search


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MMsINC code: MMs01955929

Type: Neutral
Formula: C₂₃H₁₈N₂O₅

SMILES:

O(c1ccccc1C(OC)=O)c1nc(nc2c1cccc2)-c1cccc(OC)c1O

InChI:

InChI=1/C23H18N2O5/c1-28-19-13-7-10-16(20(19)26)21-24-17-11-5-3-8-14(17)22(25-21)30-18-12-6-4-9-15(18)23(27)29-2/h3-13,26H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.278 kcal/mol

Physical Properties
Molecular Weight: 402.406 g/mol	logS: -6.98421	SlogP: 4.5899	Reactive groups: 0

Topological Properties
Globularity: 0.0452936	Sterimol/B1: 2.65987	Sterimol/B2: 3.57448	Sterimol/B3: 4.34258
Sterimol/B4: 10.4525	Sterimol/L: 16.0239

Surface and Volume Properties
Accessible surface: 647.562	Positive charged surface: 438.566	Negative charged surface: 200.03	Volume: 371.625
Hydrophobic surface: 559.275	Hydrophilic surface: 88.287

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.