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MMsINC code: MMs00366438

Type: Neutral
Formula: C₂₃H₂₄N₂O₂

SMILES:

O=C/1N(C(=O)c2c(cccc2)\C\1=C/NC1CCCCC1)c1ccc(cc1)C

InChI:

InChI=1/C23H24N2O2/c1-16-11-13-18(14-12-16)25-22(26)20-10-6-5-9-19(20)21(23(25)27)15-24-17-7-3-2-4-8-17/h5-6,9-15,17,24H,2-4,7-8H2,1H3/b21-15-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.817 kcal/mol

Physical Properties
Molecular Weight: 360.457 g/mol	logS: -5.75275	SlogP: 4.44522	Reactive groups: 0

Topological Properties
Globularity: 0.067457	Sterimol/B1: 2.36121	Sterimol/B2: 3.65665	Sterimol/B3: 3.72523
Sterimol/B4: 11.6385	Sterimol/L: 16.2317

Surface and Volume Properties
Accessible surface: 643.018	Positive charged surface: 406.81	Negative charged surface: 236.207	Volume: 360
Hydrophobic surface: 591.786	Hydrophilic surface: 51.232

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00366439
ASINEX-ZINC04725947