MMsINC Database Search


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MMsINC code: MMs00135025

Type: Neutral
Formula: C₁₉H₂₅FN₂O₂

SMILES:

Fc1ccccc1C(=O)N1CCN(CC1)C(=O)CCC1CCCC1

InChI:

InChI=1/C19H25FN2O2/c20-17-8-4-3-7-16(17)19(24)22-13-11-21(12-14-22)18(23)10-9-15-5-1-2-6-15/h3-4,7-8,15H,1-2,5-6,9-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.9468 kcal/mol

Physical Properties
Molecular Weight: 332.419 g/mol	logS: -4.61861	SlogP: 3.0805	Reactive groups: 0

Topological Properties
Globularity: 0.0518418	Sterimol/B1: 2.47637	Sterimol/B2: 2.86434	Sterimol/B3: 4.04916
Sterimol/B4: 7.74278	Sterimol/L: 17.1317

Surface and Volume Properties
Accessible surface: 598.269	Positive charged surface: 421.892	Negative charged surface: 176.377	Volume: 327.5
Hydrophobic surface: 536.095	Hydrophilic surface: 62.174

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.