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MMsINC code: MMs03069027

Type: Neutral
Formula: C₂₃H₁₉NO₃

SMILES:

O(Cc1ccccc1)c1cc(C)c(cc1)-c1cn2c(C=CC=C2)c1C(O)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.8388 kcal/mol

Physical Properties
Molecular Weight: 357.409 g/mol	logS: -5.4638	SlogP: 5.50462	Reactive groups: 0

Topological Properties
Globularity: 0.0470667	Sterimol/B1: 2.42672	Sterimol/B2: 3.7129	Sterimol/B3: 5.62938
Sterimol/B4: 5.97668	Sterimol/L: 20.1133

Surface and Volume Properties
Accessible surface: 633.867	Positive charged surface: 337.979	Negative charged surface: 295.887	Volume: 350.25
Hydrophobic surface: 538.039	Hydrophilic surface: 95.828

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

MMs03069028
PUBCHEM-ZINC03748564