MMsINC Database Search


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MMsINC code: MMs01303801

Type: Neutral
Formula: C₁₇H₁₆F₃NO₂

SMILES:

FC(F)(F)c1ccccc1C(=O)NC(Cc1ccccc1)CO

InChI:

InChI=1/C17H16F3NO2/c18-17(19,20)15-9-5-4-8-14(15)16(23)21-13(11-22)10-12-6-2-1-3-7-12/h1-9,13,22H,10-11H2,(H,21,23)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.3129 kcal/mol

Physical Properties
Molecular Weight: 323.314 g/mol	logS: -4.21439	SlogP: 3.35027	Reactive groups: 0

Topological Properties
Globularity: 0.228329	Sterimol/B1: 2.50076	Sterimol/B2: 3.75038	Sterimol/B3: 4.81607
Sterimol/B4: 8.40088	Sterimol/L: 12.6616

Surface and Volume Properties
Accessible surface: 533.264	Positive charged surface: 275.654	Negative charged surface: 257.611	Volume: 286.75
Hydrophobic surface: 385.188	Hydrophilic surface: 148.076

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.