MMsINC Database Search


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MMsINC code: MMs00042159

Type: Neutral
Formula: C₁₁H₇Cl₂NO₂

SMILES:

Clc1cc(Cl)cnc1Oc1ccc(O)cc1

InChI:

InChI=1/C11H7Cl2NO2/c12-7-5-10(13)11(14-6-7)16-9-3-1-8(15)2-4-9/h1-6,15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.6693 kcal/mol

Physical Properties
Molecular Weight: 256.088 g/mol	logS: -3.32734	SlogP: 3.8863	Reactive groups: 0

Topological Properties
Globularity: 0.0946356	Sterimol/B1: 2.47203	Sterimol/B2: 3.14969	Sterimol/B3: 4.17899
Sterimol/B4: 5.53466	Sterimol/L: 13.6374

Surface and Volume Properties
Accessible surface: 445.362	Positive charged surface: 202.105	Negative charged surface: 243.257	Volume: 209.25
Hydrophobic surface: 384.658	Hydrophilic surface: 60.704

Pharmacophoric Properties
Hydrogen bond donors: 1	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.