MMsINC Database Search


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MMsINC code: MMs00735078

Type: Neutral
Formula: C₁₈H₁₀FNO₂

SMILES:

Fc1ccccc1C(=O)N1c2c3c(cccc3ccc2)C1=O

InChI:

InChI=1/C18H10FNO2/c19-14-9-2-1-7-12(14)17(21)20-15-10-4-6-11-5-3-8-13(16(11)15)18(20)22/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.7561 kcal/mol

Physical Properties
Molecular Weight: 291.281 g/mol	logS: -5.93145	SlogP: 3.7795	Reactive groups: 0

Topological Properties
Globularity: 0.123753	Sterimol/B1: 2.52738	Sterimol/B2: 4.32998	Sterimol/B3: 5.64119
Sterimol/B4: 6.07484	Sterimol/L: 13.9874

Surface and Volume Properties
Accessible surface: 481.166	Positive charged surface: 218.999	Negative charged surface: 252.398	Volume: 261.5
Hydrophobic surface: 413.614	Hydrophilic surface: 67.552

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.