MMsINC Database Search


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MMsINC code: MMs02141787

Type: Neutral
Formula: C₁₄H₁₁FN₂O₃

SMILES:

Fc1ccccc1NC(=O)Nc1cc(ccc1)C(O)=O

InChI:

InChI=1/C14H11FN2O3/c15-11-6-1-2-7-12(11)17-14(20)16-10-5-3-4-9(8-10)13(18)19/h1-8H,(H,18,19)(H2,16,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.3899 kcal/mol

Physical Properties
Molecular Weight: 274.251 g/mol	logS: -3.51643	SlogP: 3.1679	Reactive groups: 0

Topological Properties
Globularity: 0.0122733	Sterimol/B1: 2.452	Sterimol/B2: 2.52971	Sterimol/B3: 2.9597
Sterimol/B4: 6.37322	Sterimol/L: 14.5466

Surface and Volume Properties
Accessible surface: 482.519	Positive charged surface: 259.85	Negative charged surface: 222.669	Volume: 237.75
Hydrophobic surface: 327.379	Hydrophilic surface: 155.14

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02141788
MAYBRIDGE-ZINC00151373