MMsINC Database Search


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MMsINC code: MMs02006815

Type: Neutral
Formula: C₁₉H₁₆F₂N₂O₃

SMILES:

Fc1cccc(F)c1C(=O)NCCc1cc2c(nc1O)cc(OC)cc2

InChI:

InChI=1/C19H16F2N2O3/c1-26-13-6-5-11-9-12(18(24)23-16(11)10-13)7-8-22-19(25)17-14(20)3-2-4-15(17)21/h2-6,9-10H,7-8H2,1H3,(H,22,25)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.4405 kcal/mol

Physical Properties
Molecular Weight: 358.344 g/mol	logS: -4.53857	SlogP: 3.19967	Reactive groups: 0

Topological Properties
Globularity: 0.0201616	Sterimol/B1: 3.2474	Sterimol/B2: 3.48937	Sterimol/B3: 3.71817
Sterimol/B4: 5.31162	Sterimol/L: 20.7649

Surface and Volume Properties
Accessible surface: 608.342	Positive charged surface: 343.752	Negative charged surface: 259.054	Volume: 316.375
Hydrophobic surface: 480.918	Hydrophilic surface: 127.424

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.