MMsINC Database Search


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MMsINC code: MMs03352656

Type: Neutral
Formula: C₁₀H₁₂Cl₂N₂

SMILES:

Clc1cc(Cl)ccc1C1NCCN1C

InChI:

InChI=1/C10H12Cl2N2/c1-14-5-4-13-10(14)8-3-2-7(11)6-9(8)12/h2-3,6,10,13H,4-5H2,1H3/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.2842 kcal/mol

Physical Properties
Molecular Weight: 231.126 g/mol	logS: -2.52142	SlogP: 2.6225	Reactive groups: 0

Topological Properties
Globularity: 0.100268	Sterimol/B1: 2.68054	Sterimol/B2: 2.89661	Sterimol/B3: 3.96346
Sterimol/B4: 5.51851	Sterimol/L: 12.0541

Surface and Volume Properties
Accessible surface: 399.147	Positive charged surface: 232.167	Negative charged surface: 166.98	Volume: 202.25
Hydrophobic surface: 380.841	Hydrophilic surface: 18.306

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.