MMsINC Database Search


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MMsINC code: MMs02658342

Type: Neutral
Formula: C₁₄H₈Cl₂N₂

SMILES:

Clc1ccccc1-c1nc(Cl)c2c(n1)cccc2

InChI:

InChI=1/C14H8Cl2N2/c15-11-7-3-1-5-9(11)14-17-12-8-4-2-6-10(12)13(16)18-14/h1-8H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.1541 kcal/mol

Physical Properties
Molecular Weight: 275.138 g/mol	logS: -6.59992	SlogP: 4.6036	Reactive groups: 0

Topological Properties
Globularity: 5.08227e-07	Sterimol/B1: 2.09951	Sterimol/B2: 2.1001	Sterimol/B3: 4.51304
Sterimol/B4: 5.63308	Sterimol/L: 14.1758

Surface and Volume Properties
Accessible surface: 452.717	Positive charged surface: 179.348	Negative charged surface: 262.298	Volume: 239.75
Hydrophobic surface: 421.019	Hydrophilic surface: 31.698

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.