MMsINC Database Search


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MMsINC code: MMs03033399

Type: Neutral
Formula: C₂₄H₁₇FN₂O

SMILES:

Fc1ccc(cc1)Cn1cc(c2c1cccc2)\C=C\1/c2c(NC/1=O)cccc2

InChI:

InChI=1/C24H17FN2O/c25-18-11-9-16(10-12-18)14-27-15-17(19-5-2-4-8-23(19)27)13-21-20-6-1-3-7-22(20)26-24(21)28/h1-13,15H,14H2,(H,26,28)/b21-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.554 kcal/mol

Physical Properties
Molecular Weight: 368.411 g/mol	logS: -6.23947	SlogP: 5.5878	Reactive groups: 0

Topological Properties
Globularity: 0.1729	Sterimol/B1: 2.55774	Sterimol/B2: 4.21567	Sterimol/B3: 5.24973
Sterimol/B4: 9.29548	Sterimol/L: 15.2651

Surface and Volume Properties
Accessible surface: 599.611	Positive charged surface: 311.409	Negative charged surface: 284.064	Volume: 350.25
Hydrophobic surface: 508.459	Hydrophilic surface: 91.152

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.