MMsINC Database Search


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MMsINC code: MMs00281571

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

o1c2cc(C)c(cc2nc1-c1cc(NC(=O)c2cc(ccc2)C)ccc1)C

InChI:

InChI=1/C23H20N2O2/c1-14-6-4-7-17(10-14)22(26)24-19-9-5-8-18(13-19)23-25-20-11-15(2)16(3)12-21(20)27-23/h4-13H,1-3H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.001 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -8.0923	SlogP: 5.67236	Reactive groups: 0

Topological Properties
Globularity: 0.0151778	Sterimol/B1: 2.02661	Sterimol/B2: 2.48044	Sterimol/B3: 3.78206
Sterimol/B4: 10.3455	Sterimol/L: 18.7822

Surface and Volume Properties
Accessible surface: 657.88	Positive charged surface: 380.521	Negative charged surface: 277.359	Volume: 353.375
Hydrophobic surface: 580.131	Hydrophilic surface: 77.749

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.