MMsINC Database Search


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MMsINC code: MMs00104061

Type: Neutral
Formula: C₁₆H₁₉FN₂O₃

SMILES:

Fc1cc(ccc1)C1N(CCN(C)C)C(=O)C(=O)C1C(=O)C

InChI:

InChI=1/C16H19FN2O3/c1-10(20)13-14(11-5-4-6-12(17)9-11)19(8-7-18(2)3)16(22)15(13)21/h4-6,9,13-14H,7-8H2,1-3H3/t13-,14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.0492 kcal/mol

Physical Properties
Molecular Weight: 306.337 g/mol	logS: -2.19327	SlogP: 1.1404	Reactive groups: 0

Topological Properties
Globularity: 0.219275	Sterimol/B1: 2.21182	Sterimol/B2: 3.24314	Sterimol/B3: 5.13312
Sterimol/B4: 9.13699	Sterimol/L: 12.8685

Surface and Volume Properties
Accessible surface: 541.285	Positive charged surface: 337.8	Negative charged surface: 203.484	Volume: 289
Hydrophobic surface: 434.176	Hydrophilic surface: 107.109

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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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