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MMsINC code: MMs03806389

Type: Neutral
Formula: C₂₃H₂₄FN₃O₂

SMILES:

Fc1c2c(N(CCCCN3CCC(=CC3)c3ccccc3)C(=O)NC2=O)ccc1

InChI:

InChI=1/C23H24FN3O2/c24-19-9-6-10-20-21(19)22(28)25-23(29)27(20)14-5-4-13-26-15-11-18(12-16-26)17-7-2-1-3-8-17/h1-3,6-11H,4-5,12-16H2,(H,25,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.0758 kcal/mol

Physical Properties
Molecular Weight: 393.462 g/mol	logS: -4.74239	SlogP: 4.065	Reactive groups: 0

Topological Properties
Globularity: 0.0353164	Sterimol/B1: 2.50315	Sterimol/B2: 4.60609	Sterimol/B3: 4.63271
Sterimol/B4: 5.32073	Sterimol/L: 20.9262

Surface and Volume Properties
Accessible surface: 671.058	Positive charged surface: 429.134	Negative charged surface: 241.924	Volume: 375.75
Hydrophobic surface: 543.642	Hydrophilic surface: 127.416

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs03806390
PUBCHEM-ZINC06579056