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MMsINC code: MMs03782325

Type: Neutral
Formula: C₉H₁₁ClFN₃O₃

SMILES:

ClC1=CN(C2OC(CO)C(F)C2)C(=O)N=C1N

InChI:

InChI=1/C9H11ClFN3O3/c10-4-2-14(9(16)13-8(4)12)7-1-5(11)6(3-15)17-7/h2,5-7,15H,1,3H2,(H2,12,13,16)/t5-,6+,7+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.6234 kcal/mol

Physical Properties
Molecular Weight: 263.656 g/mol	logS: -1.83378	SlogP: 0.8336	Reactive groups: 0

Topological Properties
Globularity: 0.0946572	Sterimol/B1: 2.57814	Sterimol/B2: 2.80235	Sterimol/B3: 4.01716
Sterimol/B4: 4.97814	Sterimol/L: 12.7079

Surface and Volume Properties
Accessible surface: 430.479	Positive charged surface: 242.789	Negative charged surface: 187.69	Volume: 207.125
Hydrophobic surface: 216.203	Hydrophilic surface: 214.276

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.