MMsINC Database Search


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MMsINC code: MMs01112554

Type: Neutral
Formula: C₁₇H₁₃FN₂O₂

SMILES:

Fc1ccc(cc1)\C=C/1\C(=O)N(NC\1=O)c1ccc(cc1)C

InChI:

InChI=1/C17H13FN2O2/c1-11-2-8-14(9-3-11)20-17(22)15(16(21)19-20)10-12-4-6-13(18)7-5-12/h2-10H,1H3,(H,19,21)/b15-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.9373 kcal/mol

Physical Properties
Molecular Weight: 296.301 g/mol	logS: -4.96652	SlogP: 2.59552	Reactive groups: 0

Topological Properties
Globularity: 0.0255553	Sterimol/B1: 2.62617	Sterimol/B2: 3.17472	Sterimol/B3: 3.29974
Sterimol/B4: 7.46181	Sterimol/L: 15.4653

Surface and Volume Properties
Accessible surface: 518.894	Positive charged surface: 267.539	Negative charged surface: 251.354	Volume: 270.625
Hydrophobic surface: 429.368	Hydrophilic surface: 89.526

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.