MMsINC Database Search


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MMsINC code: MMs00351698

Type: Neutral
Formula: C₁₇H₂₅FN₂O

SMILES:

Fc1ccccc1CN1CCC(CC1)C(=O)NCCCC

InChI:

InChI=1/C17H25FN2O/c1-2-3-10-19-17(21)14-8-11-20(12-9-14)13-15-6-4-5-7-16(15)18/h4-7,14H,2-3,8-13H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.8247 kcal/mol

Physical Properties
Molecular Weight: 292.398 g/mol	logS: -3.07694	SlogP: 3.2204	Reactive groups: 0

Topological Properties
Globularity: 0.0595502	Sterimol/B1: 3.17871	Sterimol/B2: 3.33217	Sterimol/B3: 4.34814
Sterimol/B4: 6.55883	Sterimol/L: 17.5279

Surface and Volume Properties
Accessible surface: 579.8	Positive charged surface: 417.095	Negative charged surface: 162.705	Volume: 302.75
Hydrophobic surface: 511.895	Hydrophilic surface: 67.905

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00351699
ASINEX-ZINC04552772