MMsINC Database Search


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MMsINC code: MMs00493628

Type: Neutral
Formula: C₁₄H₁₁Cl₂NO₂

SMILES:

Clc1cc(NC(=O)C)ccc1Oc1ccc(Cl)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0234 kcal/mol

Physical Properties
Molecular Weight: 296.153 g/mol	logS: -4.84562	SlogP: 4.7441	Reactive groups: 0

Topological Properties
Globularity: 0.0668438	Sterimol/B1: 3.20131	Sterimol/B2: 3.28512	Sterimol/B3: 3.8693
Sterimol/B4: 7.3328	Sterimol/L: 15.3353

Surface and Volume Properties
Accessible surface: 503.751	Positive charged surface: 223.133	Negative charged surface: 280.618	Volume: 257.125
Hydrophobic surface: 449.912	Hydrophilic surface: 53.839

Pharmacophoric Properties
Hydrogen bond donors: 1	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.