MMsINC Database Search


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MMsINC code: MMs01587115

Type: Neutral
Formula: C₁₈H₁₅ClFNO₅

SMILES:

Clc1cccc(F)c1C(OCC(=O)NCc1ccc(cc1)C(OC)=O)=O

InChI:

InChI=1/C18H15ClFNO5/c1-25-17(23)12-7-5-11(6-8-12)9-21-15(22)10-26-18(24)16-13(19)3-2-4-14(16)20/h2-8H,9-10H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.8039 kcal/mol

Physical Properties
Molecular Weight: 379.771 g/mol	logS: -5.11808	SlogP: 3.0053	Reactive groups: 0

Topological Properties
Globularity: 0.0289702	Sterimol/B1: 3.01109	Sterimol/B2: 3.15107	Sterimol/B3: 4.63406
Sterimol/B4: 5.39422	Sterimol/L: 21.6765

Surface and Volume Properties
Accessible surface: 648.987	Positive charged surface: 354.31	Negative charged surface: 294.677	Volume: 326.125
Hydrophobic surface: 520.479	Hydrophilic surface: 128.508

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.