MMsINC Database Search


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MMsINC code: MMs02338782

Type: Neutral
Formula: C₁₄H₁₄Cl₂N₂

SMILES:

Clc1ccc(cc1)CNNCc1ccc(Cl)cc1

InChI:

InChI=1/C14H14Cl2N2/c15-13-5-1-11(2-6-13)9-17-18-10-12-3-7-14(16)8-4-12/h1-8,17-18H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.9081 kcal/mol

Physical Properties
Molecular Weight: 281.186 g/mol	logS: -3.87758	SlogP: 4.3206	Reactive groups: 1

Topological Properties
Globularity: 0.0325384	Sterimol/B1: 2.42077	Sterimol/B2: 2.74931	Sterimol/B3: 3.36631
Sterimol/B4: 4.81723	Sterimol/L: 18.7117

Surface and Volume Properties
Accessible surface: 529.879	Positive charged surface: 252.296	Negative charged surface: 277.583	Volume: 260.375
Hydrophobic surface: 484.746	Hydrophilic surface: 45.133

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

MMs02338783
NCID-ZINC01711876