MMsINC Database Search


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MMsINC code: MMs03413131

Type: Neutral
Formula: C₂₀H₁₁NO₇

SMILES:

O1C2(c3c(cc([N+](=O)[O-])cc3)C1=O)c1c(Oc3c2ccc(O)c3)cc(O)cc1

InChI:

InChI=1/C20H11NO7/c22-11-2-5-15-17(8-11)27-18-9-12(23)3-6-16(18)20(15)14-4-1-10(21(25)26)7-13(14)19(24)28-20/h1-9,22-23H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.8311 kcal/mol

Physical Properties
Molecular Weight: 377.308 g/mol	logS: -6.04009	SlogP: 3.8855	Reactive groups: 0

Topological Properties
Globularity: 0.234487	Sterimol/B1: 2.53022	Sterimol/B2: 5.98361	Sterimol/B3: 6.79322
Sterimol/B4: 6.88412	Sterimol/L: 13.3896

Surface and Volume Properties
Accessible surface: 562.215	Positive charged surface: 255.448	Negative charged surface: 306.766	Volume: 311.125
Hydrophobic surface: 321.505	Hydrophilic surface: 240.71

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.