MMsINC Database Search


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MMsINC code: MMs00984395

Type: Neutral
Formula: C₁₉H₁₆F₂N₂O

SMILES:

Fc1cc(NC(=O)C(n2cccc2)Cc2ccccc2)ccc1F

InChI:

InChI=1/C19H16F2N2O/c20-16-9-8-15(13-17(16)21)22-19(24)18(23-10-4-5-11-23)12-14-6-2-1-3-7-14/h1-11,13,18H,12H2,(H,22,24)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.9492 kcal/mol

Physical Properties
Molecular Weight: 326.346 g/mol	logS: -4.13787	SlogP: 4.28427	Reactive groups: 0

Topological Properties
Globularity: 0.0694275	Sterimol/B1: 3.33014	Sterimol/B2: 3.46957	Sterimol/B3: 3.70599
Sterimol/B4: 6.19617	Sterimol/L: 16.7518

Surface and Volume Properties
Accessible surface: 555.576	Positive charged surface: 291.3	Negative charged surface: 264.276	Volume: 303.125
Hydrophobic surface: 512.962	Hydrophilic surface: 42.614

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.