MMsINC Database Search


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MMsINC code: MMs01383881

Type: Neutral
Formula: C₁₆H₁₅ClFNO₂

SMILES:

Clc1cccc(F)c1COC(=O)c1cc(N(C)C)ccc1

InChI:

InChI=1/C16H15ClFNO2/c1-19(2)12-6-3-5-11(9-12)16(20)21-10-13-14(17)7-4-8-15(13)18/h3-9H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.6758 kcal/mol

Physical Properties
Molecular Weight: 307.752 g/mol	logS: -4.49119	SlogP: 4.1685	Reactive groups: 0

Topological Properties
Globularity: 0.0496156	Sterimol/B1: 3.89482	Sterimol/B2: 4.06443	Sterimol/B3: 4.57264
Sterimol/B4: 4.71346	Sterimol/L: 16.8863

Surface and Volume Properties
Accessible surface: 544.503	Positive charged surface: 313.938	Negative charged surface: 230.565	Volume: 281.125
Hydrophobic surface: 506.854	Hydrophilic surface: 37.649

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.