MMsINC Database Search


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MMsINC code: MMs01887000

Type: Neutral
Formula: C₂₃H₁₇FN₂O

SMILES:

Fc1ccc(cc1)\C=C/1\N=C(N(Cc2ccccc2)C\1=O)c1ccccc1

InChI:

InChI=1/C23H17FN2O/c24-20-13-11-17(12-14-20)15-21-23(27)26(16-18-7-3-1-4-8-18)22(25-21)19-9-5-2-6-10-19/h1-15H,16H2/b21-15-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.523 kcal/mol

Physical Properties
Molecular Weight: 356.4 g/mol	logS: -6.45809	SlogP: 4.9222	Reactive groups: 0

Topological Properties
Globularity: 0.122363	Sterimol/B1: 2.33812	Sterimol/B2: 3.40094	Sterimol/B3: 5.70501
Sterimol/B4: 9.00254	Sterimol/L: 14.8968

Surface and Volume Properties
Accessible surface: 599.639	Positive charged surface: 308.616	Negative charged surface: 291.023	Volume: 345
Hydrophobic surface: 553.416	Hydrophilic surface: 46.223

Pharmacophoric Properties
Hydrogen bond donors: 0	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.