MMsINC Database Search


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MMsINC code: MMs02366740

Type: Neutral
Formula: C₁₁H₈Cl₂N₄O

SMILES:

Clc1nc(NC(=O)Nc2nc(Cl)ccc2)ccc1

InChI:

InChI=1/C11H8Cl2N4O/c12-7-3-1-5-9(14-7)16-11(18)17-10-6-2-4-8(13)15-10/h1-6H,(H2,14,15,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.6276 kcal/mol

Physical Properties
Molecular Weight: 283.118 g/mol	logS: -3.44939	SlogP: 3.4274	Reactive groups: 0

Topological Properties
Globularity: 0.00021127	Sterimol/B1: 2.12019	Sterimol/B2: 2.1583	Sterimol/B3: 3.26411
Sterimol/B4: 5.80376	Sterimol/L: 14.3906

Surface and Volume Properties
Accessible surface: 479.838	Positive charged surface: 204.631	Negative charged surface: 275.208	Volume: 233.125
Hydrophobic surface: 372.431	Hydrophilic surface: 107.407

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.