MMsINC Database Search


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MMsINC code: MMs01673875

Type: Neutral
Formula: C₁₅H₁₇Cl₂N₃O₃

SMILES:

Clc1c(cccc1Cl)CN(C(=O)CN1C(=O)C(NC1=O)(C)C)C

InChI:

InChI=1/C15H17Cl2N3O3/c1-15(2)13(22)20(14(23)18-15)8-11(21)19(3)7-9-5-4-6-10(16)12(9)17/h4-6H,7-8H2,1-3H3,(H,18,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.2011 kcal/mol

Physical Properties
Molecular Weight: 358.225 g/mol	logS: -3.99197	SlogP: 2.5486	Reactive groups: 0

Topological Properties
Globularity: 0.108585	Sterimol/B1: 3.01206	Sterimol/B2: 4.51535	Sterimol/B3: 4.99778
Sterimol/B4: 5.32768	Sterimol/L: 15.1842

Surface and Volume Properties
Accessible surface: 557.327	Positive charged surface: 306.267	Negative charged surface: 251.06	Volume: 308.125
Hydrophobic surface: 399.639	Hydrophilic surface: 157.688

Pharmacophoric Properties
Hydrogen bond donors: 1	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.