MMsINC Database Search


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MMsINC code: MMs02990568

Type: Neutral
Formula: C₁₃H₉Cl₂NO₂

SMILES:

Clc1cc(NC(=O)c2ccccc2)cc(Cl)c1O

InChI:

InChI=1/C13H9Cl2NO2/c14-10-6-9(7-11(15)12(10)17)16-13(18)8-4-2-1-3-5-8/h1-7,17H,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.1647 kcal/mol

Physical Properties
Molecular Weight: 282.126 g/mol	logS: -4.4615	SlogP: 3.9513	Reactive groups: 0

Topological Properties
Globularity: 0.0152085	Sterimol/B1: 2.63885	Sterimol/B2: 2.99616	Sterimol/B3: 4.20332
Sterimol/B4: 5.02808	Sterimol/L: 14.8478

Surface and Volume Properties
Accessible surface: 479.266	Positive charged surface: 196.397	Negative charged surface: 282.869	Volume: 237.75
Hydrophobic surface: 401.473	Hydrophilic surface: 77.793

Pharmacophoric Properties
Hydrogen bond donors: 2	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.