MMsINC Database Search


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MMsINC code: MMs03631952

Type: Neutral
Formula: C₁₆H₁₅F₂NO₂

SMILES:

Fc1cccc(F)c1C(=O)NC(Cc1ccccc1)CO

InChI:

InChI=1/C16H15F2NO2/c17-13-7-4-8-14(18)15(13)16(21)19-12(10-20)9-11-5-2-1-3-6-11/h1-8,12,20H,9-10H2,(H,19,21)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.7779 kcal/mol

Physical Properties
Molecular Weight: 291.297 g/mol	logS: -3.7478	SlogP: 2.29817	Reactive groups: 0

Topological Properties
Globularity: 0.102828	Sterimol/B1: 2.53075	Sterimol/B2: 3.28868	Sterimol/B3: 3.8895
Sterimol/B4: 8.64044	Sterimol/L: 13.0487

Surface and Volume Properties
Accessible surface: 499.965	Positive charged surface: 284.395	Negative charged surface: 215.57	Volume: 266.875
Hydrophobic surface: 424.486	Hydrophilic surface: 75.479

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.