MMsINC Database Search


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MMsINC code: MMs02219725

Type: Neutral
Formula: C₁₃H₁₂Cl₂N₂

SMILES:

Clc1cc(N(Nc2cc(Cl)ccc2)C)ccc1

InChI:

InChI=1/C13H12Cl2N2/c1-17(13-7-3-5-11(15)9-13)16-12-6-2-4-10(14)8-12/h2-9,16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.4476 kcal/mol

Physical Properties
Molecular Weight: 267.159 g/mol	logS: -4.06508	SlogP: 4.4567	Reactive groups: 0

Topological Properties
Globularity: 0.156905	Sterimol/B1: 1.969	Sterimol/B2: 2.56035	Sterimol/B3: 5.91435
Sterimol/B4: 7.87092	Sterimol/L: 12.6866

Surface and Volume Properties
Accessible surface: 475.994	Positive charged surface: 215.255	Negative charged surface: 260.739	Volume: 245.875
Hydrophobic surface: 458.877	Hydrophilic surface: 17.117

Pharmacophoric Properties
Hydrogen bond donors: 1	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.