MMsINC Database Search


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MMsINC code: MMs01448382

Type: Neutral
Formula: C₁₆H₁₅ClFNO₃

SMILES:

Clc1ccccc1OCC(=O)NCCOc1ccccc1F

InChI:

InChI=1/C16H15ClFNO3/c17-12-5-1-3-7-14(12)22-11-16(20)19-9-10-21-15-8-4-2-6-13(15)18/h1-8H,9-11H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.9612 kcal/mol

Physical Properties
Molecular Weight: 323.751 g/mol	logS: -4.48182	SlogP: 3.0531	Reactive groups: 0

Topological Properties
Globularity: 0.03098	Sterimol/B1: 2.27247	Sterimol/B2: 4.00158	Sterimol/B3: 4.48904
Sterimol/B4: 4.90798	Sterimol/L: 18.2867

Surface and Volume Properties
Accessible surface: 579.831	Positive charged surface: 311.538	Negative charged surface: 268.293	Volume: 286.5
Hydrophobic surface: 524.037	Hydrophilic surface: 55.794

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.