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MMsINC code: MMs02251864

Type: Neutral
Formula: C₂₃H₁₉NO₄

SMILES:

O(Cc1ccccc1)c1cc2cc([nH]c2cc1OCc1ccccc1)C(O)=O

InChI:

InChI=1/C23H19NO4/c25-23(26)20-11-18-12-21(27-14-16-7-3-1-4-8-16)22(13-19(18)24-20)28-15-17-9-5-2-6-10-17/h1-13,24H,14-15H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2642 kcal/mol

Physical Properties
Molecular Weight: 373.408 g/mol	logS: -5.43366	SlogP: 5.5569	Reactive groups: 0

Topological Properties
Globularity: 0.0800922	Sterimol/B1: 2.097	Sterimol/B2: 3.61818	Sterimol/B3: 3.61884
Sterimol/B4: 10.9216	Sterimol/L: 16.792

Surface and Volume Properties
Accessible surface: 685.304	Positive charged surface: 376.524	Negative charged surface: 303.378	Volume: 359.875
Hydrophobic surface: 538.694	Hydrophilic surface: 146.61

Pharmacophoric Properties
Hydrogen bond donors: 3	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02251865
NCID-ZINC01598247