MMsINC Database Search


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MMsINC code: MMs02338784

Type: Neutral
Formula: C₁₄H₁₄Cl₂N₂

SMILES:

Clc1cc(ccc1)CNNCc1ccc(Cl)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.1655 kcal/mol

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

Topological Properties
Globularity: 0.0324026	Sterimol/B1: 2.42242	Sterimol/B2: 2.93229	Sterimol/B3: 3.19447
Sterimol/B4: 5.93831	Sterimol/L: 17.5238

Surface and Volume Properties
Accessible surface: 530.513	Positive charged surface: 250.853	Negative charged surface: 279.66	Volume: 260.5
Hydrophobic surface: 485.38	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

MMs02338785
NCID-ZINC01711877