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MMsINC code: MMs03364796

Type: Neutral
Formula: C₂₄H₂₁NO₃

SMILES:

O(C)c1ccccc1C(c1[nH]c2c(cccc2)c1CC(O)=O)c1ccccc1

InChI:

InChI=1/C24H21NO3/c1-28-21-14-8-6-12-18(21)23(16-9-3-2-4-10-16)24-19(15-22(26)27)17-11-5-7-13-20(17)25-24/h2-14,23,25H,15H2,1H3,(H,26,27)/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.998 kcal/mol

Physical Properties
Molecular Weight: 371.436 g/mol	logS: -5.35434	SlogP: 4.98377	Reactive groups: 0

Topological Properties
Globularity: 0.39639	Sterimol/B1: 3.41378	Sterimol/B2: 4.55986	Sterimol/B3: 5.85207
Sterimol/B4: 9.4858	Sterimol/L: 13.8788

Surface and Volume Properties
Accessible surface: 617.756	Positive charged surface: 364.127	Negative charged surface: 249.907	Volume: 366.25
Hydrophobic surface: 539.617	Hydrophilic surface: 78.139

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03364797
PUBCHEM-ZINC05734434