MMsINC Database Search


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MMsINC code: MMs00769744

Type: Neutral
Formula: C₁₆H₁₁FN₂O₄

SMILES:

Fc1ccc(cc1)-c1oc(cc1)\C=C/1\C(=O)N(C)C(=O)NC\1=O

InChI:

InChI=1/C16H11FN2O4/c1-19-15(21)12(14(20)18-16(19)22)8-11-6-7-13(23-11)9-2-4-10(17)5-3-9/h2-8H,1H3,(H,18,20,22)/b12-8-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.4335 kcal/mol

Physical Properties
Molecular Weight: 314.272 g/mol	logS: -5.14684	SlogP: 2.1773	Reactive groups: 0

Topological Properties
Globularity: 0.0486129	Sterimol/B1: 2.12914	Sterimol/B2: 2.22917	Sterimol/B3: 3.98408
Sterimol/B4: 7.92589	Sterimol/L: 14.5466

Surface and Volume Properties
Accessible surface: 507.114	Positive charged surface: 282.679	Negative charged surface: 224.436	Volume: 268.75
Hydrophobic surface: 371.6	Hydrophilic surface: 135.514

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.