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MMsINC code: MMs00862960

Type: Ionized
Formula: C₂₄H₁₈NO₃-

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)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.699 kcal/mol

Physical Properties
Molecular Weight: 368.412 g/mol	logS: -6.5772	SlogP: 4.41912	Reactive groups: 0

Topological Properties
Globularity: 0.0273303	Sterimol/B1: 2.34797	Sterimol/B2: 3.15585	Sterimol/B3: 3.69743
Sterimol/B4: 7.75792	Sterimol/L: 20.3834

Surface and Volume Properties
Accessible surface: 655.099	Positive charged surface: 335.968	Negative charged surface: 311.638	Volume: 360.625
Hydrophobic surface: 556.836	Hydrophilic surface: 98.263

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs00862959
CHEMDIV-ZINC01114591