MMsINC Database Search


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MMsINC code: MMs01291684

Type: Neutral
Formula: C₁₅H₁₀ClN

SMILES:

Clc1nc2c(cccc2)c(c1)-c1ccccc1

InChI:

InChI=1/C15H10ClN/c16-15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6865 kcal/mol

Physical Properties
Molecular Weight: 239.705 g/mol	logS: -5.44535	SlogP: 4.5552	Reactive groups: 0

Topological Properties
Globularity: 0.0626327	Sterimol/B1: 2.89905	Sterimol/B2: 2.99618	Sterimol/B3: 4.01145
Sterimol/B4: 7.11426	Sterimol/L: 12.4657

Surface and Volume Properties
Accessible surface: 442.149	Positive charged surface: 190.615	Negative charged surface: 243.067	Volume: 228.875
Hydrophobic surface: 413.996	Hydrophilic surface: 28.153

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.