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MMsINC code: MMs00713938

Type: Neutral
Formula: C₂₄H₂₃N₃O

SMILES:

O=C(NCc1nc2c(n1Cc1cc(ccc1C)C)cccc2)c1ccccc1

InChI:

InChI=1/C24H23N3O/c1-17-12-13-18(2)20(14-17)16-27-22-11-7-6-10-21(22)26-23(27)15-25-24(28)19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.487 kcal/mol

Physical Properties
Molecular Weight: 369.468 g/mol	logS: -6.16018	SlogP: 5.16424	Reactive groups: 0

Topological Properties
Globularity: 0.111776	Sterimol/B1: 2.15705	Sterimol/B2: 3.34065	Sterimol/B3: 4.5985
Sterimol/B4: 11.2035	Sterimol/L: 15.4842

Surface and Volume Properties
Accessible surface: 639.8	Positive charged surface: 360.311	Negative charged surface: 279.489	Volume: 373.875
Hydrophobic surface: 566.763	Hydrophilic surface: 73.037

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.