MMsINC Database Search


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MMsINC code: MMs03456133

Type: Neutral
Formula: C₁₄H₁₁Cl₂N

SMILES:

Clc1cc(Cl)ccc1\C=N\Cc1ccccc1

InChI:

InChI=1/C14H11Cl2N/c15-13-7-6-12(14(16)8-13)10-17-9-11-4-2-1-3-5-11/h1-8,10H,9H2/b17-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.0651 kcal/mol

Physical Properties
Molecular Weight: 264.155 g/mol	logS: -4.72224	SlogP: 4.8789	Reactive groups: 0

Topological Properties
Globularity: 0.10274	Sterimol/B1: 2.43348	Sterimol/B2: 3.81306	Sterimol/B3: 4.118
Sterimol/B4: 5.24123	Sterimol/L: 14.843

Surface and Volume Properties
Accessible surface: 480.124	Positive charged surface: 226.505	Negative charged surface: 253.619	Volume: 243.75
Hydrophobic surface: 458.152	Hydrophilic surface: 21.972

Pharmacophoric Properties
Hydrogen bond donors: 0	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.