MMsINC Database Search


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MMsINC code: MMs01655409

Type: Neutral
Formula: C₁₉H₁₇FN₄O₃

SMILES:

Fc1ccc(NC(=O)CN(C(=O)CN2C=Nc3c(cccc3)C2=O)C)cc1

InChI:

InChI=1/C19H17FN4O3/c1-23(10-17(25)22-14-8-6-13(20)7-9-14)18(26)11-24-12-21-16-5-3-2-4-15(16)19(24)27/h2-9,12H,10-11H2,1H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.082 kcal/mol

Physical Properties
Molecular Weight: 368.368 g/mol	logS: -4.33973	SlogP: 2.0384	Reactive groups: 0

Topological Properties
Globularity: 0.0594858	Sterimol/B1: 2.4036	Sterimol/B2: 2.43543	Sterimol/B3: 4.53403
Sterimol/B4: 7.77687	Sterimol/L: 18.6623

Surface and Volume Properties
Accessible surface: 617.971	Positive charged surface: 377.729	Negative charged surface: 240.242	Volume: 331.625
Hydrophobic surface: 487.212	Hydrophilic surface: 130.759

Pharmacophoric Properties
Hydrogen bond donors: 1	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.