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MMsINC code: MMs02295813

Type: Neutral
Formula: C₉H₁₁FN₄O₆

SMILES:

FC1C(O)C(OC1CO)n1cnc([N+](=O)[O-])c1C(=O)N

InChI:

InChI=1/C9H11FN4O6/c10-4-3(1-15)20-9(6(4)16)13-2-12-8(14(18)19)5(13)7(11)17/h2-4,6,9,15-16H,1H2,(H2,11,17)/t3-,4-,6+,9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.4094 kcal/mol

Physical Properties
Molecular Weight: 290.207 g/mol	logS: -1.48046	SlogP: -1.0057	Reactive groups: 0

Topological Properties
Globularity: 0.156969	Sterimol/B1: 2.3469	Sterimol/B2: 3.61309	Sterimol/B3: 4.23094
Sterimol/B4: 5.78408	Sterimol/L: 13.127

Surface and Volume Properties
Accessible surface: 457.202	Positive charged surface: 265.851	Negative charged surface: 191.35	Volume: 219.5
Hydrophobic surface: 126.115	Hydrophilic surface: 331.087

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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

MMs02295814
NCID-ZINC01657735