MMsINC Database Search


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MMsINC code: MMs01439579

Type: Neutral
Formula: C₁₈H₁₇ClFNO₄

SMILES:

Clc1cc(F)ccc1COC(=O)CNC(=O)c1ccc(OCC)cc1

InChI:

InChI=1/C18H17ClFNO4/c1-2-24-15-7-4-12(5-8-15)18(23)21-10-17(22)25-11-13-3-6-14(20)9-16(13)19/h3-9H,2,10-11H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.1499 kcal/mol

Physical Properties
Molecular Weight: 365.788 g/mol	logS: -5.11394	SlogP: 3.6174	Reactive groups: 1

Topological Properties
Globularity: 0.00485159	Sterimol/B1: 2.37458	Sterimol/B2: 2.37785	Sterimol/B3: 3.85922
Sterimol/B4: 6.33807	Sterimol/L: 21.4621

Surface and Volume Properties
Accessible surface: 640.946	Positive charged surface: 343.073	Negative charged surface: 297.872	Volume: 325.25
Hydrophobic surface: 521.908	Hydrophilic surface: 119.038

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.