MMsINC Database Search


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MMsINC code: MMs02735408

Type: Neutral
Formula: C₁₈H₁₉F₃N₂O₃

SMILES:

FC(F)(F)c1ccccc1NC(=O)N(CC1OCCC1)Cc1occc1

InChI:

InChI=1/C18H19F3N2O3/c19-18(20,21)15-7-1-2-8-16(15)22-17(24)23(11-13-5-3-9-25-13)12-14-6-4-10-26-14/h1-3,5,7-9,14H,4,6,10-12H2,(H,22,24)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.8494 kcal/mol

Physical Properties
Molecular Weight: 368.355 g/mol	logS: -4.59324	SlogP: 5.0894	Reactive groups: 0

Topological Properties
Globularity: 0.194179	Sterimol/B1: 3.42254	Sterimol/B2: 5.18992	Sterimol/B3: 5.95683
Sterimol/B4: 7.3983	Sterimol/L: 13.7047

Surface and Volume Properties
Accessible surface: 588.196	Positive charged surface: 323.177	Negative charged surface: 265.019	Volume: 321.125
Hydrophobic surface: 469.992	Hydrophilic surface: 118.204

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.