MMsINC Database Search


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MMsINC code: MMs02358447

Type: Neutral
Formula: C₁₅H₂₄NOPS

SMILES:

S(P(=O)(N1CCCCC1)c1ccccc1)CCCC

InChI:

InChI=1/C15H24NOPS/c1-2-3-14-19-18(17,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4,6-7,10-11H,2-3,5,8-9,12-14H2,1H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.7565 kcal/mol

Physical Properties
Molecular Weight: 297.403 g/mol	logS: -3.60114	SlogP: 3.454	Reactive groups: 0

Topological Properties
Globularity: 0.142711	Sterimol/B1: 3.70429	Sterimol/B2: 3.94601	Sterimol/B3: 4.74301
Sterimol/B4: 5.78102	Sterimol/L: 15.126

Surface and Volume Properties
Accessible surface: 523.948	Positive charged surface: 346.678	Negative charged surface: 177.27	Volume: 298.375
Hydrophobic surface: 450.509	Hydrophilic surface: 73.439

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.