MMsINC Database Search


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MMsINC code: MMs02019963

Type: Neutral
Formula: C₂₀H₁₃FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)Nc1ccccc1-c1oc2c(n1)cccc2

InChI:

InChI=1/C20H13FN2O2/c21-14-11-9-13(10-12-14)19(24)22-16-6-2-1-5-15(16)20-23-17-7-3-4-8-18(17)25-20/h1-12H,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.2548 kcal/mol

Physical Properties
Molecular Weight: 332.334 g/mol	logS: -6.96552	SlogP: 4.8862	Reactive groups: 0

Topological Properties
Globularity: 0.0215043	Sterimol/B1: 2.56077	Sterimol/B2: 2.61625	Sterimol/B3: 2.71841
Sterimol/B4: 10.5947	Sterimol/L: 14.4215

Surface and Volume Properties
Accessible surface: 554.947	Positive charged surface: 283.313	Negative charged surface: 271.633	Volume: 303.125
Hydrophobic surface: 490.389	Hydrophilic surface: 64.558

Pharmacophoric Properties
Hydrogen bond donors: 1	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.