MMsINC Database Search


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MMsINC code: MMs01402714

Type: Neutral
Formula: C₁₈H₁₇ClFNO₄

SMILES:

Clc1cccc(F)c1CC(OCC(=O)NCc1ccc(OC)cc1)=O

InChI:

InChI=1/C18H17ClFNO4/c1-24-13-7-5-12(6-8-13)10-21-17(22)11-25-18(23)9-14-15(19)3-2-4-16(14)20/h2-8H,9-11H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.1922 kcal/mol

Physical Properties
Molecular Weight: 365.788 g/mol	logS: -4.8482	SlogP: 3.15617	Reactive groups: 1

Topological Properties
Globularity: 0.0434143	Sterimol/B1: 2.31614	Sterimol/B2: 3.4724	Sterimol/B3: 3.99223
Sterimol/B4: 5.8017	Sterimol/L: 20.5338

Surface and Volume Properties
Accessible surface: 643.764	Positive charged surface: 371.027	Negative charged surface: 272.736	Volume: 326.25
Hydrophobic surface: 544.604	Hydrophilic surface: 99.16

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.