MMsINC Database Search


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MMsINC code: MMs01616342

Type: Neutral
Formula: C₁₇H₁₆Cl₂N₂O₃

SMILES:

Clc1ccccc1C(=O)NCCC(=O)Nc1cc(Cl)c(OC)cc1

InChI:

InChI=1/C17H16Cl2N2O3/c1-24-15-7-6-11(10-14(15)19)21-16(22)8-9-20-17(23)12-4-2-3-5-13(12)18/h2-7,10H,8-9H2,1H3,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.4182 kcal/mol

Physical Properties
Molecular Weight: 367.232 g/mol	logS: -4.92832	SlogP: 3.7606	Reactive groups: 0

Topological Properties
Globularity: 0.0110817	Sterimol/B1: 2.52699	Sterimol/B2: 3.38746	Sterimol/B3: 3.5418
Sterimol/B4: 6.14173	Sterimol/L: 20.4491

Surface and Volume Properties
Accessible surface: 613.324	Positive charged surface: 338.356	Negative charged surface: 274.968	Volume: 320.625
Hydrophobic surface: 531.11	Hydrophilic surface: 82.214

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.