MMsINC Database Search


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MMsINC code: MMs02610383

Type: Neutral
Formula: C₁₇H₁₃FN₂O₂

SMILES:

Fc1ccc(Oc2ncc(cn2)-c2ccc(OC)cc2)cc1

InChI:

InChI=1/C17H13FN2O2/c1-21-15-6-2-12(3-7-15)13-10-19-17(20-11-13)22-16-8-4-14(18)5-9-16/h2-11H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.7824 kcal/mol

Physical Properties
Molecular Weight: 296.301 g/mol	logS: -5.44393	SlogP: 4.0836	Reactive groups: 0

Topological Properties
Globularity: 0.0327897	Sterimol/B1: 3.50529	Sterimol/B2: 3.7409	Sterimol/B3: 4.04268
Sterimol/B4: 4.32378	Sterimol/L: 18.0974

Surface and Volume Properties
Accessible surface: 534.651	Positive charged surface: 320.295	Negative charged surface: 202.126	Volume: 275.75
Hydrophobic surface: 496.073	Hydrophilic surface: 38.578

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.