MMsINC Database Search


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MMsINC code: MMs00136399

Type: Neutral
Formula: C₁₆H₁₃FN₂O₂

SMILES:

Fc1ccccc1CN1c2c(cccc2)C(=O)N(C)C1=O

InChI:

InChI=1/C16H13FN2O2/c1-18-15(20)12-7-3-5-9-14(12)19(16(18)21)10-11-6-2-4-8-13(11)17/h2-9H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.7679 kcal/mol

Physical Properties
Molecular Weight: 284.29 g/mol	logS: -3.7888	SlogP: 3.3043	Reactive groups: 0

Topological Properties
Globularity: 0.144881	Sterimol/B1: 2.12241	Sterimol/B2: 3.1352	Sterimol/B3: 3.94805
Sterimol/B4: 8.55952	Sterimol/L: 12.0263

Surface and Volume Properties
Accessible surface: 472.284	Positive charged surface: 285.583	Negative charged surface: 186.701	Volume: 259.125
Hydrophobic surface: 405.756	Hydrophilic surface: 66.528

Pharmacophoric Properties
Hydrogen bond donors: 0	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.