MMsINC Database Search


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MMsINC code: MMs01111148

Type: Neutral
Formula: C₂₃H₁₉NO₆

SMILES:

O(c1ccccc1C(=O)Nc1cc(ccc1C(OC)=O)C(OC)=O)c1ccccc1

InChI:

InChI=1/C23H19NO6/c1-28-22(26)15-12-13-17(23(27)29-2)19(14-15)24-21(25)18-10-6-7-11-20(18)30-16-8-4-3-5-9-16/h3-14H,1-2H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.884 kcal/mol

Physical Properties
Molecular Weight: 405.406 g/mol	logS: -5.90104	SlogP: 4.3044	Reactive groups: 0

Topological Properties
Globularity: 0.0403735	Sterimol/B1: 1.97543	Sterimol/B2: 2.90327	Sterimol/B3: 3.97563
Sterimol/B4: 11.9016	Sterimol/L: 16.3261

Surface and Volume Properties
Accessible surface: 694.203	Positive charged surface: 454.988	Negative charged surface: 239.214	Volume: 373.75
Hydrophobic surface: 599.411	Hydrophilic surface: 94.792

Pharmacophoric Properties
Hydrogen bond donors: 1	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.