MMsINC Database Search


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MMsINC code: MMs01289481

Type: Neutral
Formula: C₁₀H₁₀Cl₂N₂

SMILES:

Clc1cccc(Cl)c1\N=C/1\NCCC\1

InChI:

InChI=1/C10H10Cl2N2/c11-7-3-1-4-8(12)10(7)14-9-5-2-6-13-9/h1,3-4H,2,5-6H2,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.75 kcal/mol

Physical Properties
Molecular Weight: 229.11 g/mol	logS: -3.38285	SlogP: 3.4068	Reactive groups: 0

Topological Properties
Globularity: 0.13645	Sterimol/B1: 3.00935	Sterimol/B2: 3.78987	Sterimol/B3: 4.60228
Sterimol/B4: 4.90589	Sterimol/L: 11.9018

Surface and Volume Properties
Accessible surface: 406.244	Positive charged surface: 211.407	Negative charged surface: 194.838	Volume: 202
Hydrophobic surface: 350.635	Hydrophilic surface: 55.609

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.