MMsINC Database Search


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MMsINC code: MMs02144509

Type: Neutral
Formula: C₁₉H₁₇F₂N₃O

SMILES:

Fc1cccc(F)c1C(=O)N1CCN(CC1)c1c2c([nH]cc2)ccc1

InChI:

InChI=1/C19H17F2N3O/c20-14-3-1-4-15(21)18(14)19(25)24-11-9-23(10-12-24)17-6-2-5-16-13(17)7-8-22-16/h1-8,22H,9-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.589 kcal/mol

Physical Properties
Molecular Weight: 341.361 g/mol	logS: -4.17547	SlogP: 3.4085	Reactive groups: 0

Topological Properties
Globularity: 0.111408	Sterimol/B1: 2.53562	Sterimol/B2: 3.86543	Sterimol/B3: 4.23636
Sterimol/B4: 6.54953	Sterimol/L: 15.7841

Surface and Volume Properties
Accessible surface: 560.452	Positive charged surface: 317.919	Negative charged surface: 238.637	Volume: 311.375
Hydrophobic surface: 467.005	Hydrophilic surface: 93.447

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.