MMsINC Database Search


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MMsINC code: MMs03155884

Type: Neutral
Formula: C₁₉H₂₆FN₃O₃

SMILES:

Fc1ccccc1N1CCN(CC1)C(=O)CCC(=O)NCC1OCCC1

InChI:

InChI=1/C19H26FN3O3/c20-16-5-1-2-6-17(16)22-9-11-23(12-10-22)19(25)8-7-18(24)21-14-15-4-3-13-26-15/h1-2,5-6,15H,3-4,7-14H2,(H,21,24)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.57 kcal/mol

Physical Properties
Molecular Weight: 363.433 g/mol	logS: -2.45412	SlogP: 1.5497	Reactive groups: 0

Topological Properties
Globularity: 0.0396625	Sterimol/B1: 2.35377	Sterimol/B2: 2.75862	Sterimol/B3: 4.2712
Sterimol/B4: 6.6798	Sterimol/L: 21.4731

Surface and Volume Properties
Accessible surface: 662.075	Positive charged surface: 483.741	Negative charged surface: 178.334	Volume: 346.75
Hydrophobic surface: 562.18	Hydrophilic surface: 99.895

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.