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MMsINC code: MMs01195741

Type: Neutral
Formula: C₁₅H₁₉FN₂OS

SMILES:

S1CC(=O)N(CC2CCNCC2)C1c1ccccc1F

InChI:

InChI=1/C15H19FN2OS/c16-13-4-2-1-3-12(13)15-18(14(19)10-20-15)9-11-5-7-17-8-6-11/h1-4,11,15,17H,5-10H2/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.414 kcal/mol

Physical Properties
Molecular Weight: 294.394 g/mol	logS: -3.1371	SlogP: 2.4948	Reactive groups: 0

Topological Properties
Globularity: 0.342776	Sterimol/B1: 2.4818	Sterimol/B2: 3.52801	Sterimol/B3: 5.32652
Sterimol/B4: 7.46515	Sterimol/L: 11.1366

Surface and Volume Properties
Accessible surface: 466.75	Positive charged surface: 317.884	Negative charged surface: 148.866	Volume: 275.5
Hydrophobic surface: 372.757	Hydrophilic surface: 93.993

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs01195742
COMGENEX-ZINC06727600