MMsINC Database Search


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MMsINC code: MMs02844131

Type: Neutral
Formula: C₈H₉Cl₂N

SMILES:

Clc1cccc(Cl)c1N(C)C

InChI:

InChI=1/C8H9Cl2N/c1-11(2)8-6(9)4-3-5-7(8)10/h3-5H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.483 kcal/mol

Physical Properties
Molecular Weight: 190.073 g/mol	logS: -2.78087	SlogP: 3.0594	Reactive groups: 0

Topological Properties
Globularity: 0.20458	Sterimol/B1: 2.39387	Sterimol/B2: 4.36828	Sterimol/B3: 4.75356
Sterimol/B4: 4.99435	Sterimol/L: 9.80399

Surface and Volume Properties
Accessible surface: 349.786	Positive charged surface: 190.821	Negative charged surface: 158.965	Volume: 168.25
Hydrophobic surface: 349.558	Hydrophilic surface: 0.22800000000001

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.