MMsINC Database Search


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MMsINC code: MMs01621606

Type: Neutral
Formula: C₂₀H₁₉FN₄O₃

SMILES:

Fc1ccc(cc1)C(=O)NNC(=O)C1=NN(CCCC)C(=O)c2c1cccc2

InChI:

InChI=1/C20H19FN4O3/c1-2-3-12-25-20(28)16-7-5-4-6-15(16)17(24-25)19(27)23-22-18(26)13-8-10-14(21)11-9-13/h4-11H,2-3,12H2,1H3,(H,22,26)(H,23,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.345 kcal/mol

Physical Properties
Molecular Weight: 382.395 g/mol	logS: -5.6496	SlogP: 2.2469	Reactive groups: 0

Topological Properties
Globularity: 0.0251879	Sterimol/B1: 2.08142	Sterimol/B2: 2.4782	Sterimol/B3: 4.28727
Sterimol/B4: 11.5405	Sterimol/L: 17.1382

Surface and Volume Properties
Accessible surface: 665.726	Positive charged surface: 380.125	Negative charged surface: 285.6	Volume: 346.75
Hydrophobic surface: 504.823	Hydrophilic surface: 160.903

Pharmacophoric Properties
Hydrogen bond donors: 2	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.