MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02195634

Type: Neutral
Formula: C₁₅H₁₂FNO₂

SMILES:

Fc1ccc(NC(=O)\C=C(/O)\c2ccccc2)cc1

InChI:

InChI=1/C15H12FNO2/c16-12-6-8-13(9-7-12)17-15(19)10-14(18)11-4-2-1-3-5-11/h1-10,18H,(H,17,19)/b14-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.374 kcal/mol

Physical Properties
Molecular Weight: 257.264 g/mol	logS: -3.82975	SlogP: 3.3633	Reactive groups: 0

Topological Properties
Globularity: 0.00848159	Sterimol/B1: 2.37071	Sterimol/B2: 2.6231	Sterimol/B3: 3.47749
Sterimol/B4: 4.19312	Sterimol/L: 16.6701

Surface and Volume Properties
Accessible surface: 483.084	Positive charged surface: 248.173	Negative charged surface: 234.911	Volume: 238.5
Hydrophobic surface: 415.124	Hydrophilic surface: 67.96

Pharmacophoric Properties
Hydrogen bond donors: 2	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

search links for this molecule:

Ions/Tautomers related molecules

MMs02195636 NANOSIN-ZINC01507985	MMs02195638 NANOSIN-ZINC01507985	MMs02195635 NANOSIN-ZINC01507985
MMs02195637 NANOSIN-ZINC01507985