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MMsINC code: MMs03067243

Type: Neutral
Formula: C₂₄H₂₁NO₃

SMILES:

O(c1cc(ccc1)-c1[nH]c2c(c1CC(O)=O)c(ccc2C)C)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.0942 kcal/mol

Physical Properties
Molecular Weight: 371.436 g/mol	logS: -6.51793	SlogP: 5.87111	Reactive groups: 0

Topological Properties
Globularity: 0.150045	Sterimol/B1: 2.85502	Sterimol/B2: 5.20632	Sterimol/B3: 5.85459
Sterimol/B4: 6.95518	Sterimol/L: 16.0999

Surface and Volume Properties
Accessible surface: 639.578	Positive charged surface: 356.153	Negative charged surface: 279.811	Volume: 363.625
Hydrophobic surface: 548.6	Hydrophilic surface: 90.978

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

MMs03067244
PUBCHEM-ZINC03742306