MMsINC Database Search


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MMsINC code: MMs03468918

Type: Neutral
Formula: C₁₉H₂₄FN₅O₂

SMILES:

Fc1nc(N)c2nc(n(c2n1)CCCCC)Cc1cc(OC)ccc1OC

InChI:

InChI=1/C19H24FN5O2/c1-4-5-6-9-25-15(22-16-17(21)23-19(20)24-18(16)25)11-12-10-13(26-2)7-8-14(12)27-3/h7-8,10H,4-6,9,11H2,1-3H3,(H2,21,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.7676 kcal/mol

Physical Properties
Molecular Weight: 373.432 g/mol	logS: -5.58974	SlogP: 3.61217	Reactive groups: 1

Topological Properties
Globularity: 0.151666	Sterimol/B1: 3.29525	Sterimol/B2: 4.78929	Sterimol/B3: 5.34644
Sterimol/B4: 9.58122	Sterimol/L: 15.1495

Surface and Volume Properties
Accessible surface: 651.804	Positive charged surface: 490.088	Negative charged surface: 161.717	Volume: 355.75
Hydrophobic surface: 481.702	Hydrophilic surface: 170.102

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.