MMsINC Database Search


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MMsINC code: MMs01704609

Type: Neutral
Formula: C₁₅H₁₄ClFN₂O₄

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(OCC(=O)NCC)=O

InChI:

InChI=1/C15H14ClFN2O4/c1-3-18-11(20)7-22-15(21)12-8(2)23-19-14(12)13-9(16)5-4-6-10(13)17/h4-6H,3,7H2,1-2H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.157 kcal/mol

Physical Properties
Molecular Weight: 340.738 g/mol	logS: -4.65058	SlogP: 2.73542	Reactive groups: 0

Topological Properties
Globularity: 0.101647	Sterimol/B1: 3.82227	Sterimol/B2: 4.64526	Sterimol/B3: 5.37937
Sterimol/B4: 7.16134	Sterimol/L: 14.426

Surface and Volume Properties
Accessible surface: 570.781	Positive charged surface: 300.27	Negative charged surface: 270.511	Volume: 289.5
Hydrophobic surface: 452.481	Hydrophilic surface: 118.3

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.