MMsINC Database Search


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MMsINC code: MMs02146768

Type: Neutral
Formula: C₁₄H₁₁FN₄O

SMILES:

Fc1ccc(Oc2c3c(nc(nc3N)N)ccc2)cc1

InChI:

InChI=1/C14H11FN4O/c15-8-4-6-9(7-5-8)20-11-3-1-2-10-12(11)13(16)19-14(17)18-10/h1-7H,(H4,16,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.0307 kcal/mol

Physical Properties
Molecular Weight: 270.267 g/mol	logS: -4.56687	SlogP: 2.7256	Reactive groups: 0

Topological Properties
Globularity: 0.0656831	Sterimol/B1: 2.47806	Sterimol/B2: 3.23627	Sterimol/B3: 3.83769
Sterimol/B4: 7.15398	Sterimol/L: 15.1068

Surface and Volume Properties
Accessible surface: 471.241	Positive charged surface: 284.844	Negative charged surface: 180.99	Volume: 239.375
Hydrophobic surface: 290.648	Hydrophilic surface: 180.593

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.