MMsINC Database Search


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MMsINC code: MMs01681057

Type: Neutral
Formula: C₁₉H₁₄FN₅O

SMILES:

Fc1ccccc1Nc1ncccc1C(=O)Nc1[nH]c2c(n1)cccc2

InChI:

InChI=1/C19H14FN5O/c20-13-7-1-2-8-14(13)22-17-12(6-5-11-21-17)18(26)25-19-23-15-9-3-4-10-16(15)24-19/h1-11H,(H,21,22)(H2,23,24,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.7802 kcal/mol

Physical Properties
Molecular Weight: 347.353 g/mol	logS: -5.34473	SlogP: 4.0929	Reactive groups: 0

Topological Properties
Globularity: 0.00274869	Sterimol/B1: 2.36967	Sterimol/B2: 2.53065	Sterimol/B3: 3.72036
Sterimol/B4: 8.22115	Sterimol/L: 17.7365

Surface and Volume Properties
Accessible surface: 574.04	Positive charged surface: 331.093	Negative charged surface: 242.947	Volume: 311.125
Hydrophobic surface: 473.835	Hydrophilic surface: 100.205

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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.