MMsINC Database Search


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MMsINC code: MMs00690859

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

o1c2cc(ccc2nc1-c1cc(NC(=O)c2ccc(cc2)C)c(cc1)C)C

InChI:

InChI=1/C23H20N2O2/c1-14-4-8-17(9-5-14)22(26)24-20-13-18(10-7-16(20)3)23-25-19-11-6-15(2)12-21(19)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)=98.8369 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -7.77885	SlogP: 5.67236	Reactive groups: 0

Topological Properties
Globularity: 0.00952582	Sterimol/B1: 2.4479	Sterimol/B2: 2.54822	Sterimol/B3: 2.99467
Sterimol/B4: 8.97601	Sterimol/L: 19.9638

Surface and Volume Properties
Accessible surface: 655.594	Positive charged surface: 377.987	Negative charged surface: 277.607	Volume: 352
Hydrophobic surface: 590.724	Hydrophilic surface: 64.87

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.