MMsINC Database Search


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MMsINC code: MMs00606778

Type: Neutral
Formula: C₁₈H₁₃FN₂O₃

SMILES:

Fc1ccc(cc1)\C=C\1/C(=O)N(Cc2ccccc2)C(=O)NC/1=O

InChI:

InChI=1/C18H13FN2O3/c19-14-8-6-12(7-9-14)10-15-16(22)20-18(24)21(17(15)23)11-13-4-2-1-3-5-13/h1-10H,11H2,(H,20,22,24)/b15-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.1139 kcal/mol

Physical Properties
Molecular Weight: 324.311 g/mol	logS: -4.76799	SlogP: 2.7541	Reactive groups: 0

Topological Properties
Globularity: 0.0721223	Sterimol/B1: 2.47587	Sterimol/B2: 3.16665	Sterimol/B3: 4.953
Sterimol/B4: 5.89765	Sterimol/L: 16.0446

Surface and Volume Properties
Accessible surface: 530.181	Positive charged surface: 290.413	Negative charged surface: 239.768	Volume: 288.5
Hydrophobic surface: 410.273	Hydrophilic surface: 119.908

Pharmacophoric Properties
Hydrogen bond donors: 1	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.