MMsINC Database Search


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MMsINC code: MMs01616663

Type: Neutral
Formula: C₁₄H₁₀F₃NO

SMILES:

Fc1cc(F)ccc1C(=O)NCc1ccc(F)cc1

InChI:

InChI=1/C14H10F3NO/c15-10-3-1-9(2-4-10)8-18-14(19)12-6-5-11(16)7-13(12)17/h1-7H,8H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.0989 kcal/mol

Physical Properties
Molecular Weight: 265.234 g/mol	logS: -4.18385	SlogP: 3.3003	Reactive groups: 0

Topological Properties
Globularity: 0.0725187	Sterimol/B1: 2.42049	Sterimol/B2: 3.95739	Sterimol/B3: 4.58795
Sterimol/B4: 4.81914	Sterimol/L: 14.574

Surface and Volume Properties
Accessible surface: 465.704	Positive charged surface: 222.719	Negative charged surface: 242.985	Volume: 229.625
Hydrophobic surface: 421.234	Hydrophilic surface: 44.47

Pharmacophoric Properties
Hydrogen bond donors: 1	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.