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MMsINC code: MMs03103924

Type: Neutral
Formula: C₂₄H₁₉NO₃

SMILES:

O(Cc1ccccc1)c1ccc(cc1)-c1nc2c(cccc2C)c(c1)C(O)=O

InChI:

InChI=1/C24H19NO3/c1-16-6-5-9-20-21(24(26)27)14-22(25-23(16)20)18-10-12-19(13-11-18)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)=110.702 kcal/mol

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

Topological Properties
Globularity: 0.0220138	Sterimol/B1: 2.18135	Sterimol/B2: 3.61101	Sterimol/B3: 3.62775
Sterimol/B4: 9.59501	Sterimol/L: 20.4657

Surface and Volume Properties
Accessible surface: 647.709	Positive charged surface: 352.585	Negative charged surface: 284.222	Volume: 359.75
Hydrophobic surface: 533.4	Hydrophilic surface: 114.309

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

MMs03103925
PUBCHEM-ZINC04227642