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MMsINC code: MMs00927973

Type: Neutral
Formula: C₂₃H₂₅FN₄O₂

SMILES:

Fc1ccccc1-c1nc(on1)CCC(=O)NC1CCN(CC1)Cc1ccccc1

InChI:

InChI=1/C23H25FN4O2/c24-20-9-5-4-8-19(20)23-26-22(30-27-23)11-10-21(29)25-18-12-14-28(15-13-18)16-17-6-2-1-3-7-17/h1-9,18H,10-16H2,(H,25,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0021 kcal/mol

Physical Properties
Molecular Weight: 408.477 g/mol	logS: -5.7864	SlogP: 3.85547	Reactive groups: 0

Topological Properties
Globularity: 0.0285572	Sterimol/B1: 2.36805	Sterimol/B2: 3.43525	Sterimol/B3: 4.1719
Sterimol/B4: 6.70846	Sterimol/L: 23.0555

Surface and Volume Properties
Accessible surface: 724.477	Positive charged surface: 464.188	Negative charged surface: 260.289	Volume: 390.625
Hydrophobic surface: 631.148	Hydrophilic surface: 93.329

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs00927974
CHEMDIV-ZINC04119254