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MMsINC code: MMs01172322

Type: Neutral
Formula: C₁₉H₂₃FN₄O₃

SMILES:

Fc1ccc(cc1)CN(C(=O)c1nccnc1)CCC(=O)NCCCOC

InChI:

InChI=1/C19H23FN4O3/c1-27-12-2-8-23-18(25)7-11-24(14-15-3-5-16(20)6-4-15)19(26)17-13-21-9-10-22-17/h3-6,9-10,13H,2,7-8,11-12,14H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.5826 kcal/mol

Physical Properties
Molecular Weight: 374.416 g/mol	logS: -1.52344	SlogP: 2.0673	Reactive groups: 0

Topological Properties
Globularity: 0.0473368	Sterimol/B1: 3.31649	Sterimol/B2: 3.88192	Sterimol/B3: 4.37678
Sterimol/B4: 7.74186	Sterimol/L: 19.8003

Surface and Volume Properties
Accessible surface: 659.349	Positive charged surface: 489.15	Negative charged surface: 170.2	Volume: 353.5
Hydrophobic surface: 556.3	Hydrophilic surface: 103.049

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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: no related molecules available.