MMsINC Database Search


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MMsINC code: MMs01275399

Type: Neutral
Formula: C₁₅H₁₃F₂NO

SMILES:

Fc1cc(cc(F)c1)C(=O)NCCc1ccccc1

InChI:

InChI=1/C15H13F2NO/c16-13-8-12(9-14(17)10-13)15(19)18-7-6-11-4-2-1-3-5-11/h1-5,8-10H,6-7H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.9025 kcal/mol

Physical Properties
Molecular Weight: 261.271 g/mol	logS: -3.95034	SlogP: 2.93727	Reactive groups: 0

Topological Properties
Globularity: 0.052054	Sterimol/B1: 3.54408	Sterimol/B2: 3.6171	Sterimol/B3: 3.6195
Sterimol/B4: 4.51068	Sterimol/L: 16.4831

Surface and Volume Properties
Accessible surface: 494.15	Positive charged surface: 251.759	Negative charged surface: 242.391	Volume: 244.25
Hydrophobic surface: 449.708	Hydrophilic surface: 44.442

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.