MMsINC Database Search


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MMsINC code: MMs02362709

Type: Neutral
Formula: C₁₀H₁₄FN₃O₅

SMILES:

FC1=CN(C2OC(CO)C(O)C(O)C2)C(=O)N=C1N

InChI:

InChI=1/C10H14FN3O5/c11-4-2-14(10(18)13-9(4)12)7-1-5(16)8(17)6(3-15)19-7/h2,5-8,15-17H,1,3H2,(H2,12,13,18)/t5-,6-,7-,8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.0709 kcal/mol

Physical Properties
Molecular Weight: 275.236 g/mol	logS: -0.66342	SlogP: -1.4719	Reactive groups: 0

Topological Properties
Globularity: 0.0869764	Sterimol/B1: 3.38071	Sterimol/B2: 3.3999	Sterimol/B3: 4.30247
Sterimol/B4: 5.96298	Sterimol/L: 12.7227

Surface and Volume Properties
Accessible surface: 450.849	Positive charged surface: 307.534	Negative charged surface: 143.315	Volume: 221.125
Hydrophobic surface: 189.128	Hydrophilic surface: 261.721

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 6	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: no related molecules available.