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MMsINC code: MMs00862959

Type: Neutral
Formula: C₂₄H₁₉NO₃

SMILES:

O(Cc1ccccc1)c1ccc(cc1)-c1nc2c(cccc2)c(C(O)=O)c1C

InChI:

InChI=1/C24H19NO3/c1-16-22(24(26)27)20-9-5-6-10-21(20)25-23(16)18-11-13-19(14-12-18)28-15-17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.114 kcal/mol

Physical Properties
Molecular Weight: 369.42 g/mol	logS: -6.31675	SlogP: 5.75382	Reactive groups: 0

Topological Properties
Globularity: 0.0269002	Sterimol/B1: 2.50705	Sterimol/B2: 3.21249	Sterimol/B3: 3.36262
Sterimol/B4: 7.79481	Sterimol/L: 20.2403

Surface and Volume Properties
Accessible surface: 647.214	Positive charged surface: 347.529	Negative charged surface: 291.726	Volume: 357.625
Hydrophobic surface: 540.61	Hydrophilic surface: 106.604

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00862960
CHEMDIV-ZINC01114591