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MMsINC code: MMs02818655

Type: Ionized
Formula: C₂₃H₂₃N₂O₂-

SMILES:

O=C([O-])C(C)(c1c2c(n(C)c1C)cccc2)c1c2c(n(C)c1C)cccc2

InChI:

InChI=1/C23H24N2O2/c1-14-20(16-10-6-8-12-18(16)24(14)4)23(3,22(26)27)21-15(2)25(5)19-13-9-7-11-17(19)21/h6-13H,1-5H3,(H,26,27)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.2093 kcal/mol

Physical Properties
Molecular Weight: 359.449 g/mol	logS: -4.51503	SlogP: 4.06114	Reactive groups: 0

Topological Properties
Globularity: 0.232947	Sterimol/B1: 2.48156	Sterimol/B2: 4.86147	Sterimol/B3: 5.92991
Sterimol/B4: 6.61494	Sterimol/L: 14.7785

Surface and Volume Properties
Accessible surface: 573.98	Positive charged surface: 354.333	Negative charged surface: 217.034	Volume: 364.5
Hydrophobic surface: 504.492	Hydrophilic surface: 69.488

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 2	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: 1

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Parent related molecule:

MMs02818654
PUBCHEM-ZINC01691943