MMsINC Database Search


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MMsINC code: MMs02817051

Type: Neutral
Formula: C₁₉H₁₃FN₂O₂

SMILES:

Fc1ccc(cc1)Cn1c2c(nc1C)C(=O)c1c(cccc1)C2=O

InChI:

InChI=1/C19H13FN2O2/c1-11-21-16-17(22(11)10-12-6-8-13(20)9-7-12)19(24)15-5-3-2-4-14(15)18(16)23/h2-9H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.804 kcal/mol

Physical Properties
Molecular Weight: 320.323 g/mol	logS: -4.74424	SlogP: 3.42072	Reactive groups: 0

Topological Properties
Globularity: 0.0867846	Sterimol/B1: 2.5595	Sterimol/B2: 3.57463	Sterimol/B3: 3.58962
Sterimol/B4: 8.26559	Sterimol/L: 14.6492

Surface and Volume Properties
Accessible surface: 519.776	Positive charged surface: 268.184	Negative charged surface: 251.592	Volume: 292.25
Hydrophobic surface: 427.649	Hydrophilic surface: 92.127

Pharmacophoric Properties
Hydrogen bond donors: 0	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.