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MMsINC code: MMs01834896

Type: Neutral
Formula: C₁₇H₁₄Cl₂N₂O

SMILES:

Clc1ccccc1C(=O)NCCc1c2cc(Cl)ccc2[nH]c1

InChI:

InChI=1/C17H14Cl2N2O/c18-12-5-6-16-14(9-12)11(10-21-16)7-8-20-17(22)13-3-1-2-4-15(13)19/h1-6,9-10,21H,7-8H2,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.3741 kcal/mol

Physical Properties
Molecular Weight: 333.218 g/mol	logS: -5.11886	SlogP: 4.44717	Reactive groups: 0

Topological Properties
Globularity: 0.0649965	Sterimol/B1: 2.50099	Sterimol/B2: 4.52536	Sterimol/B3: 5.97786
Sterimol/B4: 6.28939	Sterimol/L: 16.9081

Surface and Volume Properties
Accessible surface: 570.104	Positive charged surface: 263.949	Negative charged surface: 301.586	Volume: 298.625
Hydrophobic surface: 489.693	Hydrophilic surface: 80.411

Pharmacophoric Properties
Hydrogen bond donors: 2	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.