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MMsINC code: MMs03067395

Type: Neutral
Formula: C₂₄H₂₁NO₃

SMILES:

O(c1cc(ccc1)-c1[nH]c2c(cccc2CC)c1CC(O)=O)c1ccccc1

InChI:

InChI=1/C24H21NO3/c1-2-16-8-7-13-20-21(15-22(26)27)24(25-23(16)20)17-9-6-12-19(14-17)28-18-10-4-3-5-11-18/h3-14,25H,2,15H2,1H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.1432 kcal/mol

Physical Properties
Molecular Weight: 371.436 g/mol	logS: -6.55923	SlogP: 5.81664	Reactive groups: 0

Topological Properties
Globularity: 0.189456	Sterimol/B1: 2.43149	Sterimol/B2: 3.82331	Sterimol/B3: 4.64889
Sterimol/B4: 9.89686	Sterimol/L: 13.604

Surface and Volume Properties
Accessible surface: 633.093	Positive charged surface: 372.711	Negative charged surface: 257.204	Volume: 364.25
Hydrophobic surface: 514.971	Hydrophilic surface: 118.122

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	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

MMs03067396
PUBCHEM-ZINC03742479