MMsINC Database Search


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MMsINC code: MMs02880147

Type: Neutral
Formula: C₁₁H₁₄Cl₂N₂O

SMILES:

Clc1c(NC(=O)NCCCC)cccc1Cl

InChI:

InChI=1/C11H14Cl2N2O/c1-2-3-7-14-11(16)15-9-6-4-5-8(12)10(9)13/h4-6H,2-3,7H2,1H3,(H2,14,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.9798 kcal/mol

Physical Properties
Molecular Weight: 261.152 g/mol	logS: -3.94097	SlogP: 3.915	Reactive groups: 0

Topological Properties
Globularity: 0.0206994	Sterimol/B1: 2.69682	Sterimol/B2: 2.79235	Sterimol/B3: 4.22326
Sterimol/B4: 4.73688	Sterimol/L: 16.4416

Surface and Volume Properties
Accessible surface: 486.011	Positive charged surface: 267.541	Negative charged surface: 218.47	Volume: 234.625
Hydrophobic surface: 403.501	Hydrophilic surface: 82.51

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.