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MMsINC code: MMs01135461

Type: Neutral
Formula: C₂₀H₁₆F₂N₄O₂

SMILES:

Fc1cc(F)ccc1NC(=O)N1CC2=C(N=C(NC2=O)c2ccccc2)CC1

InChI:

InChI=1/C20H16F2N4O2/c21-13-6-7-17(15(22)10-13)24-20(28)26-9-8-16-14(11-26)19(27)25-18(23-16)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,24,28)(H,23,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.7012 kcal/mol

Physical Properties
Molecular Weight: 382.37 g/mol	logS: -5.09527	SlogP: 3.0331	Reactive groups: 0

Topological Properties
Globularity: 0.0386941	Sterimol/B1: 2.24449	Sterimol/B2: 4.10561	Sterimol/B3: 4.64173
Sterimol/B4: 4.90961	Sterimol/L: 19.9413

Surface and Volume Properties
Accessible surface: 609.499	Positive charged surface: 341.456	Negative charged surface: 268.043	Volume: 330
Hydrophobic surface: 502.419	Hydrophilic surface: 107.08

Pharmacophoric Properties
Hydrogen bond donors: 2	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.