MMsINC Database Search


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MMsINC code: MMs03435994

Type: Neutral
Formula: C₁₇H₁₄Cl₂N₂O₂

SMILES:

Clc1cc(NC(=O)C2CC(=O)N(C2)c2ccccc2)cc(Cl)c1

InChI:

InChI=1/C17H14Cl2N2O2/c18-12-7-13(19)9-14(8-12)20-17(23)11-6-16(22)21(10-11)15-4-2-1-3-5-15/h1-5,7-9,11H,6,10H2,(H,20,23)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.4083 kcal/mol

Physical Properties
Molecular Weight: 349.217 g/mol	logS: -4.73323	SlogP: 3.985	Reactive groups: 0

Topological Properties
Globularity: 0.0232231	Sterimol/B1: 2.69102	Sterimol/B2: 3.79726	Sterimol/B3: 4.60859
Sterimol/B4: 5.16371	Sterimol/L: 17.9014

Surface and Volume Properties
Accessible surface: 571.297	Positive charged surface: 261.86	Negative charged surface: 309.437	Volume: 301.75
Hydrophobic surface: 498.137	Hydrophilic surface: 73.16

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.