MMsINC Database Search


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MMsINC code: MMs01918509

Type: Neutral
Formula: C₂₃H₁₅FN₄O₂

SMILES:

Fc1ccc(cc1)-c1nc2nc3c(nc2n1Cc1cc2OCOc2cc1)cccc3

InChI:

InChI=1/C23H15FN4O2/c24-16-8-6-15(7-9-16)22-27-21-23(26-18-4-2-1-3-17(18)25-21)28(22)12-14-5-10-19-20(11-14)30-13-29-19/h1-11H,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.899 kcal/mol

Physical Properties
Molecular Weight: 398.397 g/mol	logS: -8.17555	SlogP: 4.829	Reactive groups: 0

Topological Properties
Globularity: 0.105274	Sterimol/B1: 3.10269	Sterimol/B2: 4.2933	Sterimol/B3: 4.38913
Sterimol/B4: 8.46558	Sterimol/L: 16.0951

Surface and Volume Properties
Accessible surface: 618.66	Positive charged surface: 357.596	Negative charged surface: 261.065	Volume: 355.5
Hydrophobic surface: 492.5	Hydrophilic surface: 126.16

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.