MMsINC Database Search


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MMsINC code: MMs02219722

Type: Neutral
Formula: C₁₃H₁₂Cl₂N₂

SMILES:

Clc1ccc(N(Nc2ccc(Cl)cc2)C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.2024 kcal/mol

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

Topological Properties
Globularity: 0.144238	Sterimol/B1: 1.969	Sterimol/B2: 2.7967	Sterimol/B3: 4.68856
Sterimol/B4: 6.74752	Sterimol/L: 14.8742

Surface and Volume Properties
Accessible surface: 470.774	Positive charged surface: 215.657	Negative charged surface: 255.117	Volume: 242.5
Hydrophobic surface: 453.657	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.