MMsINC Database Search


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MMsINC code: MMs00138100

Type: Neutral
Formula: C₁₉H₁₃FN₂O₂

SMILES:

Fc1cc(NC(=O)CN2c3c4c(cccc4ccc3)C2=O)ccc1

InChI:

InChI=1/C19H13FN2O2/c20-13-6-3-7-14(10-13)21-17(23)11-22-16-9-2-5-12-4-1-8-15(18(12)16)19(22)24/h1-10H,11H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.551 kcal/mol

Physical Properties
Molecular Weight: 320.323 g/mol	logS: -5.77267	SlogP: 3.5778	Reactive groups: 0

Topological Properties
Globularity: 0.107496	Sterimol/B1: 3.12462	Sterimol/B2: 3.20653	Sterimol/B3: 4.90953
Sterimol/B4: 6.71093	Sterimol/L: 15.7335

Surface and Volume Properties
Accessible surface: 549.731	Positive charged surface: 286.845	Negative charged surface: 252.065	Volume: 291
Hydrophobic surface: 466.297	Hydrophilic surface: 83.434

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Ions/Tautomers related molecules: no related molecules available.