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MMsINC code: MMs03070293

Type: Neutral
Formula: C₂₃H₁₉NO₃

SMILES:

O(c1cc(ccc1)-c1[nH]c2c(cc(cc2)C)c1CC(O)=O)c1ccccc1

InChI:

InChI=1/C23H19NO3/c1-15-10-11-21-19(12-15)20(14-22(25)26)23(24-21)16-6-5-9-18(13-16)27-17-7-3-2-4-8-17/h2-13,24H,14H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.6811 kcal/mol

Physical Properties
Molecular Weight: 357.409 g/mol	logS: -6.35746	SlogP: 5.56269	Reactive groups: 0

Topological Properties
Globularity: 0.111939	Sterimol/B1: 2.83179	Sterimol/B2: 3.56645	Sterimol/B3: 4.69792
Sterimol/B4: 7.85445	Sterimol/L: 16.8311

Surface and Volume Properties
Accessible surface: 633.462	Positive charged surface: 355.527	Negative charged surface: 273.996	Volume: 347.125
Hydrophobic surface: 530.87	Hydrophilic surface: 102.592

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

MMs03070294
PUBCHEM-ZINC03752551