MMsINC Database Search


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MMsINC code: MMs01958352

Type: Neutral
Formula: C₂₀H₁₄N₂O₄

SMILES:

O(C)c1c2c(-c3nccc4c5cc(O)ccc5n(c34)C2=O)ccc1OC

InChI:

InChI=1/C20H14N2O4/c1-25-15-6-4-12-16(19(15)26-2)20(24)22-14-5-3-10(23)9-13(14)11-7-8-21-17(12)18(11)22/h3-9,23H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.635 kcal/mol

Physical Properties
Molecular Weight: 346.342 g/mol	logS: -4.80103	SlogP: 3.5812	Reactive groups: 0

Topological Properties
Globularity: 0.0152176	Sterimol/B1: 2.306	Sterimol/B2: 3.11313	Sterimol/B3: 5.54736
Sterimol/B4: 6.26837	Sterimol/L: 16.8199

Surface and Volume Properties
Accessible surface: 551.497	Positive charged surface: 374.701	Negative charged surface: 161.152	Volume: 309.25
Hydrophobic surface: 451.029	Hydrophilic surface: 100.468

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.