MMsINC Database Search


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MMsINC code: MMs01611155

Type: Neutral
Formula: C₂₀H₁₅F₃N₂O₂

SMILES:

Fc1c(F)c(F)ccc1NC(=O)CNC(=O)Cc1c2c(ccc1)cccc2

InChI:

InChI=1/C20H15F3N2O2/c21-15-8-9-16(20(23)19(15)22)25-18(27)11-24-17(26)10-13-6-3-5-12-4-1-2-7-14(12)13/h1-9H,10-11H2,(H,24,26)(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.673 kcal/mol

Physical Properties
Molecular Weight: 372.346 g/mol	logS: -6.35173	SlogP: 3.55447	Reactive groups: 0

Topological Properties
Globularity: 0.0458213	Sterimol/B1: 2.73727	Sterimol/B2: 3.11814	Sterimol/B3: 4.17875
Sterimol/B4: 7.16818	Sterimol/L: 19.016

Surface and Volume Properties
Accessible surface: 615.878	Positive charged surface: 319.685	Negative charged surface: 287.351	Volume: 323.25
Hydrophobic surface: 527.071	Hydrophilic surface: 88.807

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.