MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01246231

Type: Neutral
Formula: C₁₉H₁₅ClN₂O₅

SMILES:

Clc1cccc(NC(=O)COC(=O)CN2C(=O)c3c(cccc3)C2=O)c1C

InChI:

InChI=1/C19H15ClN2O5/c1-11-14(20)7-4-8-15(11)21-16(23)10-27-17(24)9-22-18(25)12-5-2-3-6-13(12)19(22)26/h2-8H,9-10H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.7557 kcal/mol

Physical Properties
Molecular Weight: 386.791 g/mol	logS: -5.23409	SlogP: 2.42632	Reactive groups: 1

Topological Properties
Globularity: 0.0310271	Sterimol/B1: 2.07999	Sterimol/B2: 3.35392	Sterimol/B3: 4.39801
Sterimol/B4: 6.68065	Sterimol/L: 20.5299

Surface and Volume Properties
Accessible surface: 634.398	Positive charged surface: 324.272	Negative charged surface: 310.126	Volume: 332.625
Hydrophobic surface: 478.105	Hydrophilic surface: 156.293

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.