MMsINC Database Search


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MMsINC code: MMs01427763

Type: Neutral
Formula: C₁₆H₁₄ClF₂NO₂

SMILES:

Clc1ccc(cc1)CCNC(=O)c1ccccc1OC(F)F

InChI:

InChI=1/C16H14ClF2NO2/c17-12-7-5-11(6-8-12)9-10-20-15(21)13-3-1-2-4-14(13)22-16(18)19/h1-8,16H,9-10H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.921 kcal/mol

Physical Properties
Molecular Weight: 325.742 g/mol	logS: -4.22892	SlogP: 4.33377	Reactive groups: 0

Topological Properties
Globularity: 0.0468115	Sterimol/B1: 2.55923	Sterimol/B2: 3.61834	Sterimol/B3: 3.61901
Sterimol/B4: 7.42938	Sterimol/L: 17.3594

Surface and Volume Properties
Accessible surface: 558.975	Positive charged surface: 271.645	Negative charged surface: 287.33	Volume: 284.125
Hydrophobic surface: 441.197	Hydrophilic surface: 117.778

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.