MMsINC Database Search


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MMsINC code: MMs00574657

Type: Neutral
Formula: C₁₉H₁₈Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1NC(=O)c1ccccc1NC(=O)C1CCCC1

InChI:

InChI=1/C19H18Cl2N2O2/c20-14-9-5-10-15(21)17(14)23-19(25)13-8-3-4-11-16(13)22-18(24)12-6-1-2-7-12/h3-5,8-12H,1-2,6-7H2,(H,22,24)(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.931 kcal/mol

Physical Properties
Molecular Weight: 377.271 g/mol	logS: -6.36484	SlogP: 5.3744	Reactive groups: 0

Topological Properties
Globularity: 0.0634207	Sterimol/B1: 2.44832	Sterimol/B2: 4.05851	Sterimol/B3: 4.09256
Sterimol/B4: 9.42935	Sterimol/L: 15.7006

Surface and Volume Properties
Accessible surface: 606.836	Positive charged surface: 325.313	Negative charged surface: 281.522	Volume: 334.25
Hydrophobic surface: 569.9	Hydrophilic surface: 36.936

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.