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MMsINC code: MMs03070250

Type: Neutral
Formula: C₂₃H₁₉NO₂

SMILES:

OC(=O)Cc1c2c([nH]c1-c1ccc(cc1)-c1ccccc1)c(ccc2)C

InChI:

InChI=1/C23H19NO2/c1-15-6-5-9-19-20(14-21(25)26)23(24-22(15)19)18-12-10-17(11-13-18)16-7-3-2-4-8-16/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)=88.9385 kcal/mol

Physical Properties
Molecular Weight: 341.41 g/mol	logS: -6.68768	SlogP: 5.43739	Reactive groups: 0

Topological Properties
Globularity: 0.0302905	Sterimol/B1: 2.16849	Sterimol/B2: 2.25318	Sterimol/B3: 3.97454
Sterimol/B4: 9.12655	Sterimol/L: 18.0309

Surface and Volume Properties
Accessible surface: 602.095	Positive charged surface: 316.36	Negative charged surface: 270.996	Volume: 339.375
Hydrophobic surface: 506.658	Hydrophilic surface: 95.437

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

MMs03070251
PUBCHEM-ZINC03752494