MMsINC Database Search


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MMsINC code: MMs01488231

Type: Neutral
Formula: C₁₈H₁₇ClN₂O₅

SMILES:

Clc1cc(NC(=O)COC(=O)c2cc(NC(=O)C)ccc2)ccc1OC

InChI:

InChI=1/C18H17ClN2O5/c1-11(22)20-13-5-3-4-12(8-13)18(24)26-10-17(23)21-14-6-7-16(25-2)15(19)9-14/h3-9H,10H2,1-2H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.173 kcal/mol

Physical Properties
Molecular Weight: 376.796 g/mol	logS: -4.75716	SlogP: 3.1025	Reactive groups: 0

Topological Properties
Globularity: 0.00984966	Sterimol/B1: 2.61849	Sterimol/B2: 3.39717	Sterimol/B3: 3.44772
Sterimol/B4: 6.08697	Sterimol/L: 21.2897

Surface and Volume Properties
Accessible surface: 653.629	Positive charged surface: 383.818	Negative charged surface: 269.811	Volume: 333.5
Hydrophobic surface: 509.384	Hydrophilic surface: 144.245

Pharmacophoric Properties
Hydrogen bond donors: 2	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.