MMsINC Database Search


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MMsINC code: MMs01967473

Type: Neutral
Formula: C₁₇H₁₉FN₄O₄

SMILES:

Fc1cc(ccc1)C(=O)NCCC(=O)NCC=1N(C)C(=O)N(C)C(=O)C=1

InChI:

InChI=1/C17H19FN4O4/c1-21-13(9-15(24)22(2)17(21)26)10-20-14(23)6-7-19-16(25)11-4-3-5-12(18)8-11/h3-5,8-9H,6-7,10H2,1-2H3,(H,19,25)(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=16.3461 kcal/mol

Physical Properties
Molecular Weight: 362.361 g/mol	logS: -2.78981	SlogP: 0.4695	Reactive groups: 0

Topological Properties
Globularity: 0.0357322	Sterimol/B1: 2.32584	Sterimol/B2: 4.46587	Sterimol/B3: 4.66282
Sterimol/B4: 5.92967	Sterimol/L: 20.1748

Surface and Volume Properties
Accessible surface: 622.811	Positive charged surface: 393.082	Negative charged surface: 229.729	Volume: 323.625
Hydrophobic surface: 455.648	Hydrophilic surface: 167.163

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.