MMsINC Database Search


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MMsINC code: MMs01671737

Type: Neutral
Formula: C₁₉H₂₁F₂NO₃

SMILES:

FC(F)Oc1ccc(cc1)CCNC(=O)CCOc1ccc(cc1)C

InChI:

InChI=1/C19H21F2NO3/c1-14-2-6-16(7-3-14)24-13-11-18(23)22-12-10-15-4-8-17(9-5-15)25-19(20)21/h2-9,19H,10-13H2,1H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.9975 kcal/mol

Physical Properties
Molecular Weight: 349.377 g/mol	logS: -3.92729	SlogP: 4.14409	Reactive groups: 0

Topological Properties
Globularity: 0.024056	Sterimol/B1: 2.6293	Sterimol/B2: 3.58721	Sterimol/B3: 3.90147
Sterimol/B4: 5.51008	Sterimol/L: 22.146

Surface and Volume Properties
Accessible surface: 645.776	Positive charged surface: 385.796	Negative charged surface: 259.98	Volume: 328.375
Hydrophobic surface: 502.947	Hydrophilic surface: 142.829

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.