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MMsINC code: MMs03315288

Type: Neutral
Formula: C₉H₁₀ClN₃O₂

SMILES:

ClCC(=O)NNC(=O)c1ccc(N)cc1

InChI:

InChI=1/C9H10ClN3O2/c10-5-8(14)12-13-9(15)6-1-3-7(11)4-2-6/h1-4H,5,11H2,(H,12,14)(H,13,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.5889 kcal/mol

Physical Properties
Molecular Weight: 227.651 g/mol	logS: -2.30166	SlogP: 0.2686	Reactive groups: 1

Topological Properties
Globularity: 0.00494931	Sterimol/B1: 2.37358	Sterimol/B2: 2.37652	Sterimol/B3: 2.5365
Sterimol/B4: 5.24633	Sterimol/L: 15.2679

Surface and Volume Properties
Accessible surface: 424.643	Positive charged surface: 218.582	Negative charged surface: 206.061	Volume: 195.375
Hydrophobic surface: 191.702	Hydrophilic surface: 232.941

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.