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MMsINC code: MMs03883305

Type: Neutral
Formula: C₁₀H₁₀Cl₂N₄O₄

SMILES:

Clc1nc(Cl)nc2n(cnc12)C1OC(CO)C(O)C1O

InChI:

InChI=1/C10H10Cl2N4O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2/t3-,5+,6-,9+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.03 kcal/mol

Physical Properties
Molecular Weight: 321.12 g/mol	logS: -3.31212	SlogP: -0.1599	Reactive groups: 1

Topological Properties
Globularity: 0.0855668	Sterimol/B1: 3.0203	Sterimol/B2: 3.19217	Sterimol/B3: 3.53152
Sterimol/B4: 5.85636	Sterimol/L: 13.2169

Surface and Volume Properties
Accessible surface: 478.195	Positive charged surface: 246.282	Negative charged surface: 231.913	Volume: 241.875
Hydrophobic surface: 276.655	Hydrophilic surface: 201.54

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 7	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

MMs03883306
PUBCHEM-ZINC06865177