MMsINC Database Search


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MMsINC code: MMs02893725

Type: Neutral
Formula: C₂₀H₁₅NO₆

SMILES:

O1c2c(cc(OC)c(OC)c2)C(=CC1=O)CN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C20H15NO6/c1-25-16-8-14-11(7-18(22)27-15(14)9-17(16)26-2)10-21-19(23)12-5-3-4-6-13(12)20(21)24/h3-9H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.6859 kcal/mol

Physical Properties
Molecular Weight: 365.341 g/mol	logS: -5.22554	SlogP: 2.3024	Reactive groups: 0

Topological Properties
Globularity: 0.15728	Sterimol/B1: 2.42212	Sterimol/B2: 2.54171	Sterimol/B3: 5.70955
Sterimol/B4: 9.50104	Sterimol/L: 15.5103

Surface and Volume Properties
Accessible surface: 569.735	Positive charged surface: 373.136	Negative charged surface: 196.599	Volume: 321.5
Hydrophobic surface: 427.9	Hydrophilic surface: 141.835

Pharmacophoric Properties
Hydrogen bond donors: 0	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.