MMsINC Database Search


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MMsINC code: MMs00963046

Type: Neutral
Formula: C₂₃H₂₀N₂O₂

SMILES:

O=C1N(c2ccccc2C)C(=O)N(c2c1cccc2)Cc1cc(ccc1)C

InChI:

InChI=1/C23H20N2O2/c1-16-8-7-10-18(14-16)15-24-21-13-6-4-11-19(21)22(26)25(23(24)27)20-12-5-3-9-17(20)2/h3-14H,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.274 kcal/mol

Physical Properties
Molecular Weight: 356.425 g/mol	logS: -5.95207	SlogP: 5.35684	Reactive groups: 0

Topological Properties
Globularity: 0.143586	Sterimol/B1: 3.22249	Sterimol/B2: 4.68224	Sterimol/B3: 5.21389
Sterimol/B4: 7.63197	Sterimol/L: 15.6306

Surface and Volume Properties
Accessible surface: 594.851	Positive charged surface: 339.14	Negative charged surface: 255.711	Volume: 352.375
Hydrophobic surface: 543.434	Hydrophilic surface: 51.417

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: 1

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Ions/Tautomers related molecules: no related molecules available.