MMsINC Database Search


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MMsINC code: MMs01074366

Type: Neutral
Formula: C₁₁H₁₁Cl₂NO

SMILES:

Clc1cccc(Cl)c1C(=O)N1CCCC1

InChI:

InChI=1/C11H11Cl2NO/c12-8-4-3-5-9(13)10(8)11(15)14-6-1-2-7-14/h3-5H,1-2,6-7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.5409 kcal/mol

Physical Properties
Molecular Weight: 244.121 g/mol	logS: -3.44598	SlogP: 3.2294	Reactive groups: 0

Topological Properties
Globularity: 0.162402	Sterimol/B1: 3.16691	Sterimol/B2: 4.04909	Sterimol/B3: 4.5008
Sterimol/B4: 5.10117	Sterimol/L: 12.0884

Surface and Volume Properties
Accessible surface: 417.902	Positive charged surface: 209.189	Negative charged surface: 208.713	Volume: 214.75
Hydrophobic surface: 390.896	Hydrophilic surface: 27.006

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.