MMsINC Database Search


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MMsINC code: MMs00603433

Type: Neutral
Formula: C₁₄H₁₁FN₂O₃

SMILES:

Fc1cc(ccc1)C(=O)N\N=C\c1ccc(O)cc1O

InChI:

InChI=1/C14H11FN2O3/c15-11-3-1-2-9(6-11)14(20)17-16-8-10-4-5-12(18)7-13(10)19/h1-8,18-19H,(H,17,20)/b16-8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.5427 kcal/mol

Physical Properties
Molecular Weight: 274.251 g/mol	logS: -3.10923	SlogP: 2.0008	Reactive groups: 0

Topological Properties
Globularity: 0.00257074	Sterimol/B1: 2.097	Sterimol/B2: 2.22904	Sterimol/B3: 2.86704
Sterimol/B4: 5.12241	Sterimol/L: 17.0719

Surface and Volume Properties
Accessible surface: 492.276	Positive charged surface: 271.185	Negative charged surface: 221.091	Volume: 242.25
Hydrophobic surface: 339.727	Hydrophilic surface: 152.549

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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.