MMsINC Database Search


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MMsINC code: MMs02673109

Type: Neutral
Formula: C₁₃H₁₆Cl₂N₂O

SMILES:

Clc1c(NC(=O)NC2CCCCC2)cccc1Cl

InChI:

InChI=1/C13H16Cl2N2O/c14-10-7-4-8-11(12(10)15)17-13(18)16-9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H2,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.9067 kcal/mol

Physical Properties
Molecular Weight: 287.19 g/mol	logS: -4.36791	SlogP: 4.4476	Reactive groups: 0

Topological Properties
Globularity: 0.0693091	Sterimol/B1: 2.51216	Sterimol/B2: 3.10223	Sterimol/B3: 4.22933
Sterimol/B4: 6.32451	Sterimol/L: 15.8047

Surface and Volume Properties
Accessible surface: 499.178	Positive charged surface: 281.367	Negative charged surface: 217.812	Volume: 255.875
Hydrophobic surface: 451.778	Hydrophilic surface: 47.4

Pharmacophoric Properties
Hydrogen bond donors: 2	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.