MMsINC Database Search


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MMsINC code: MMs01500488

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₅

SMILES:

Clc1ccccc1NC(=O)CN(C(=O)COC(=O)c1ccccc1OC)C

InChI:

InChI=1/C19H19ClN2O5/c1-22(11-17(23)21-15-9-5-4-8-14(15)20)18(24)12-27-19(25)13-7-3-6-10-16(13)26-2/h3-10H,11-12H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.043 kcal/mol

Physical Properties
Molecular Weight: 390.823 g/mol	logS: -4.61429	SlogP: 2.6025	Reactive groups: 0

Topological Properties
Globularity: 0.0585038	Sterimol/B1: 2.39036	Sterimol/B2: 3.58277	Sterimol/B3: 4.18013
Sterimol/B4: 7.5778	Sterimol/L: 19.5709

Surface and Volume Properties
Accessible surface: 666.965	Positive charged surface: 414.643	Negative charged surface: 252.323	Volume: 351.875
Hydrophobic surface: 564.546	Hydrophilic surface: 102.419

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.