MMsINC Database Search


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MMsINC code: MMs01789014

Type: Neutral
Formula: C₂₃H₁₉NO₃

SMILES:

O1c2c3CN(COc3ccc2-c2c(cccc2)C1=O)c1ccc(cc1C)C

InChI:

InChI=1/C23H19NO3/c1-14-7-9-20(15(2)11-14)24-12-19-21(26-13-24)10-8-17-16-5-3-4-6-18(16)23(25)27-22(17)19/h3-11H,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.297 kcal/mol

Physical Properties
Molecular Weight: 357.409 g/mol	logS: -6.92598	SlogP: 5.12594	Reactive groups: 0

Topological Properties
Globularity: 0.0651684	Sterimol/B1: 3.32289	Sterimol/B2: 3.38091	Sterimol/B3: 4.88491
Sterimol/B4: 6.87953	Sterimol/L: 18.1248

Surface and Volume Properties
Accessible surface: 600.304	Positive charged surface: 345.865	Negative charged surface: 244.725	Volume: 345.625
Hydrophobic surface: 524.567	Hydrophilic surface: 75.737

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.