MMsINC Database Search


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MMsINC code: MMs02668523

Type: Neutral
Formula: C₁₄H₁₁Cl₂NO₂

SMILES:

Clc1cc(Cl)ccc1C(=O)Nc1ccc(O)cc1C

InChI:

InChI=1/C14H11Cl2NO2/c1-8-6-10(18)3-5-13(8)17-14(19)11-4-2-9(15)7-12(11)16/h2-7,18H,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.4848 kcal/mol

Physical Properties
Molecular Weight: 296.153 g/mol	logS: -4.62197	SlogP: 4.25972	Reactive groups: 0

Topological Properties
Globularity: 0.0178678	Sterimol/B1: 2.03859	Sterimol/B2: 2.48376	Sterimol/B3: 2.91344
Sterimol/B4: 7.36187	Sterimol/L: 15.9565

Surface and Volume Properties
Accessible surface: 493.966	Positive charged surface: 218.033	Negative charged surface: 275.933	Volume: 253.25
Hydrophobic surface: 421.762	Hydrophilic surface: 72.204

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.