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MMsINC code: MMs03434253

Type: Neutral
Formula: C₁₇H₁₄Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1C(=O)NCCc1c2cc(O)ccc2[nH]c1

InChI:

InChI=1/C17H14Cl2N2O2/c18-11-1-3-13(15(19)7-11)17(23)20-6-5-10-9-21-16-4-2-12(22)8-14(10)16/h1-4,7-9,21-22H,5-6H2,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.5744 kcal/mol

Physical Properties
Molecular Weight: 349.217 g/mol	logS: -4.75691	SlogP: 4.15277	Reactive groups: 0

Topological Properties
Globularity: 0.0627408	Sterimol/B1: 3.8061	Sterimol/B2: 3.81499	Sterimol/B3: 4.9649
Sterimol/B4: 6.13177	Sterimol/L: 18.0777

Surface and Volume Properties
Accessible surface: 582.053	Positive charged surface: 280.004	Negative charged surface: 297.327	Volume: 305.875
Hydrophobic surface: 449.316	Hydrophilic surface: 132.737

Pharmacophoric Properties
Hydrogen bond donors: 3	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.