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MMsINC code: MMs03954439

Type: Neutral
Formula: C₂₃H₁₉NO₃

SMILES:

O(Cc1ccccc1)c1cc2cc(n(c2cc1)Cc1ccccc1)C(O)=O

InChI:

InChI=1/C23H19NO3/c25-23(26)22-14-19-13-20(27-16-18-9-5-2-6-10-18)11-12-21(19)24(22)15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.8184 kcal/mol

Physical Properties
Molecular Weight: 357.409 g/mol	logS: -5.27729	SlogP: 5.4996	Reactive groups: 0

Topological Properties
Globularity: 0.0539216	Sterimol/B1: 2.66134	Sterimol/B2: 2.73655	Sterimol/B3: 4.64442
Sterimol/B4: 8.31671	Sterimol/L: 18.3781

Surface and Volume Properties
Accessible surface: 627.284	Positive charged surface: 339.325	Negative charged surface: 282.597	Volume: 348.875
Hydrophobic surface: 525.202	Hydrophilic surface: 102.082

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

MMs03954440
VITASM-ZINC04663592