MMsINC Database Search


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MMsINC code: MMs03128194

Type: Neutral
Formula: C₁₉H₂₃FN₄O₂

SMILES:

Fc1ccccc1NC(=O)CCN(C(=O)c1ncc(nc1)C)CCCC

InChI:

InChI=1/C19H23FN4O2/c1-3-4-10-24(19(26)17-13-21-14(2)12-22-17)11-9-18(25)23-16-8-6-5-7-15(16)20/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.021 kcal/mol

Physical Properties
Molecular Weight: 358.417 g/mol	logS: -2.59258	SlogP: 3.19522	Reactive groups: 0

Topological Properties
Globularity: 0.0700734	Sterimol/B1: 2.50631	Sterimol/B2: 3.10044	Sterimol/B3: 4.51085
Sterimol/B4: 9.59767	Sterimol/L: 16.9774

Surface and Volume Properties
Accessible surface: 640.829	Positive charged surface: 434.102	Negative charged surface: 206.726	Volume: 345.25
Hydrophobic surface: 537.119	Hydrophilic surface: 103.71

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: no related molecules available.