MMsINC Database Search


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MMsINC code: MMs00870875

Type: Neutral
Formula: C₂₃H₁₉NO₃

SMILES:

O1c2c3CN(COc3ccc2-c2c(cccc2)C1=O)CCc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.197 kcal/mol

Physical Properties
Molecular Weight: 357.409 g/mol	logS: -6.2971	SlogP: 4.54717	Reactive groups: 0

Topological Properties
Globularity: 0.0290496	Sterimol/B1: 3.23849	Sterimol/B2: 3.4618	Sterimol/B3: 3.73525
Sterimol/B4: 6.52252	Sterimol/L: 19.4346

Surface and Volume Properties
Accessible surface: 612.406	Positive charged surface: 349.731	Negative charged surface: 252.54	Volume: 345.875
Hydrophobic surface: 528.988	Hydrophilic surface: 83.418

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.