MMsINC Database Search


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MMsINC code: MMs02803050

Type: Neutral
Formula: C₂₃H₂₀N₂O₃

SMILES:

o1c2cc(C)c(cc2nc1-c1cc(NC(=O)COc2ccccc2)ccc1)C

InChI:

InChI=1/C23H20N2O3/c1-15-11-20-21(12-16(15)2)28-23(25-20)17-7-6-8-18(13-17)24-22(26)14-27-19-9-4-3-5-10-19/h3-13H,14H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.346 kcal/mol

Physical Properties
Molecular Weight: 372.424 g/mol	logS: -7.6952	SlogP: 5.12914	Reactive groups: 0

Topological Properties
Globularity: 0.0115544	Sterimol/B1: 2.27312	Sterimol/B2: 2.53498	Sterimol/B3: 3.25997
Sterimol/B4: 10.5583	Sterimol/L: 20.02

Surface and Volume Properties
Accessible surface: 676.086	Positive charged surface: 398.805	Negative charged surface: 277.281	Volume: 361
Hydrophobic surface: 584.937	Hydrophilic surface: 91.149

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.