MMsINC Database Search


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MMsINC code: MMs01560579

Type: Neutral
Formula: C₁₈H₁₇ClFNO₆

SMILES:

Clc1cc(NC(=O)COC(=O)c2cc(OC)c(OC)cc2OC)c(F)cc1

InChI:

InChI=1/C18H17ClFNO6/c1-24-14-8-16(26-3)15(25-2)7-11(14)18(23)27-9-17(22)21-13-6-10(19)4-5-12(13)20/h4-8H,9H2,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.163 kcal/mol

Physical Properties
Molecular Weight: 397.786 g/mol	logS: -4.94345	SlogP: 3.3004	Reactive groups: 0

Topological Properties
Globularity: 0.0136179	Sterimol/B1: 2.55493	Sterimol/B2: 2.57074	Sterimol/B3: 3.3964
Sterimol/B4: 9.16861	Sterimol/L: 18.8945

Surface and Volume Properties
Accessible surface: 659.494	Positive charged surface: 437.53	Negative charged surface: 221.964	Volume: 338.75
Hydrophobic surface: 561.57	Hydrophilic surface: 97.924

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.