MMsINC Database Search


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MMsINC code: MMs02507476

Type: Neutral
Formula: C₁₀H₁₀FN₅O₄

SMILES:

FC1CC(OC1n1c2ncnc([N+](=O)[O-])c2nc1)CO

InChI:

InChI=1/C10H10FN5O4/c11-6-1-5(2-17)20-10(6)15-4-14-7-8(15)12-3-13-9(7)16(18)19/h3-6,10,17H,1-2H2/t5-,6+,10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.4215 kcal/mol

Physical Properties
Molecular Weight: 283.219 g/mol	logS: -2.96257	SlogP: 0.8678	Reactive groups: 0

Topological Properties
Globularity: 0.0612253	Sterimol/B1: 2.097	Sterimol/B2: 2.46143	Sterimol/B3: 4.14139
Sterimol/B4: 6.13354	Sterimol/L: 14.4769

Surface and Volume Properties
Accessible surface: 452.367	Positive charged surface: 286.731	Negative charged surface: 165.636	Volume: 222
Hydrophobic surface: 194.281	Hydrophilic surface: 258.086

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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.