MMsINC Database Search


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MMsINC code: MMs02261972

Type: Neutral
Formula: C₁₂H₁₂Cl₂N₂O

SMILES:

Clc1cccc(Cl)c1-c1noc(c1)CN(C)C

InChI:

InChI=1/C12H12Cl2N2O/c1-16(2)7-8-6-11(15-17-8)12-9(13)4-3-5-10(12)14/h3-6H,7H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.1478 kcal/mol

Physical Properties
Molecular Weight: 271.147 g/mol	logS: -3.91936	SlogP: 3.9764	Reactive groups: 0

Topological Properties
Globularity: 0.0616652	Sterimol/B1: 2.16098	Sterimol/B2: 4.58832	Sterimol/B3: 4.65385
Sterimol/B4: 4.71936	Sterimol/L: 14.2759

Surface and Volume Properties
Accessible surface: 472.971	Positive charged surface: 264.401	Negative charged surface: 208.571	Volume: 241
Hydrophobic surface: 447.957	Hydrophilic surface: 25.014

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02261973
NCID-ZINC01611289