MMsINC Database Search


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MMsINC code: MMs02891397

Type: Neutral
Formula: C₁₇H₂₆FN₃O

SMILES:

Fc1ccccc1N1CCN(CC1)C(=O)NCCCCCC

InChI:

InChI=1/C17H26FN3O/c1-2-3-4-7-10-19-17(22)21-13-11-20(12-14-21)16-9-6-5-8-15(16)18/h5-6,8-9H,2-4,7,10-14H2,1H3,(H,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.3195 kcal/mol

Physical Properties
Molecular Weight: 307.413 g/mol	logS: -3.73855	SlogP: 3.2376	Reactive groups: 0

Topological Properties
Globularity: 0.0396328	Sterimol/B1: 2.81793	Sterimol/B2: 3.39811	Sterimol/B3: 3.68096
Sterimol/B4: 5.97164	Sterimol/L: 20.0595

Surface and Volume Properties
Accessible surface: 604.895	Positive charged surface: 445.868	Negative charged surface: 159.027	Volume: 316.5
Hydrophobic surface: 531.184	Hydrophilic surface: 73.711

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.