MMsINC Database Search


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MMsINC code: MMs02674367

Type: Neutral
Formula: C₈H₈Cl₂N₂O

SMILES:

Clc1cc(NC(=O)NC)cc(Cl)c1

InChI:

InChI=1/C8H8Cl2N2O/c1-11-8(13)12-7-3-5(9)2-6(10)4-7/h2-4H,1H3,(H2,11,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=6.37292 kcal/mol

Physical Properties
Molecular Weight: 219.071 g/mol	logS: -2.89677	SlogP: 2.7447	Reactive groups: 0

Topological Properties
Globularity: 0.0267535	Sterimol/B1: 2.54664	Sterimol/B2: 2.73165	Sterimol/B3: 4.35798
Sterimol/B4: 4.82756	Sterimol/L: 12.7498

Surface and Volume Properties
Accessible surface: 397.687	Positive charged surface: 199.82	Negative charged surface: 197.867	Volume: 181.625
Hydrophobic surface: 325.268	Hydrophilic surface: 72.419

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.