MMsINC Database Search


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MMsINC code: MMs01153330

Type: Neutral
Formula: C₁₉H₂₃FN₄O₂

SMILES:

Fc1ccc(cc1)CNC(=O)CCN(C(=O)c1ncc(nc1)C)CCC

InChI:

InChI=1/C19H23FN4O2/c1-3-9-24(19(26)17-13-21-14(2)11-22-17)10-8-18(25)23-12-15-4-6-16(20)7-5-15/h4-7,11,13H,3,8-10,12H2,1-2H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.5267 kcal/mol

Physical Properties
Molecular Weight: 358.417 g/mol	logS: -2.0214	SlogP: 2.74922	Reactive groups: 0

Topological Properties
Globularity: 0.0606325	Sterimol/B1: 2.32781	Sterimol/B2: 3.1962	Sterimol/B3: 3.75013
Sterimol/B4: 10.7298	Sterimol/L: 17.1063

Surface and Volume Properties
Accessible surface: 646.849	Positive charged surface: 429.91	Negative charged surface: 216.939	Volume: 346.625
Hydrophobic surface: 532.066	Hydrophilic surface: 114.783

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.