MMsINC Database Search


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MMsINC code: MMs01279769

Type: Neutral
Formula: C₂₃H₁₇NO₆

SMILES:

O1CC(=O)Nc2cc(ccc12)C(=O)COC(=O)c1ccccc1Oc1ccccc1

InChI:

InChI=1/C23H17NO6/c25-19(15-10-11-21-18(12-15)24-22(26)14-28-21)13-29-23(27)17-8-4-5-9-20(17)30-16-6-2-1-3-7-16/h1-12H,13-14H2,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.559 kcal/mol

Physical Properties
Molecular Weight: 403.39 g/mol	logS: -6.04988	SlogP: 3.8495	Reactive groups: 0

Topological Properties
Globularity: 0.0185773	Sterimol/B1: 2.3674	Sterimol/B2: 3.48265	Sterimol/B3: 3.73661
Sterimol/B4: 8.18137	Sterimol/L: 21.4326

Surface and Volume Properties
Accessible surface: 671.783	Positive charged surface: 388.601	Negative charged surface: 283.182	Volume: 363.5
Hydrophobic surface: 513.866	Hydrophilic surface: 157.917

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.