MMsINC Database Search


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MMsINC code: MMs01336831

Type: Neutral
Formula: C₁₆H₁₄Cl₂N₂O₅

SMILES:

Clc1cc(Cl)cnc1NC(=O)COC(=O)COc1ccc(OC)cc1

InChI:

InChI=1/C16H14Cl2N2O5/c1-23-11-2-4-12(5-3-11)24-9-15(22)25-8-14(21)20-16-13(18)6-10(17)7-19-16/h2-7H,8-9H2,1H3,(H,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.1266 kcal/mol

Physical Properties
Molecular Weight: 385.203 g/mol	logS: -4.41194	SlogP: 2.9577	Reactive groups: 1

Topological Properties
Globularity: 0.00389874	Sterimol/B1: 2.37459	Sterimol/B2: 2.37893	Sterimol/B3: 2.95772
Sterimol/B4: 6.34494	Sterimol/L: 21.5451

Surface and Volume Properties
Accessible surface: 646.344	Positive charged surface: 358.691	Negative charged surface: 287.653	Volume: 323.125
Hydrophobic surface: 525.339	Hydrophilic surface: 121.005

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.