MMsINC Database Search


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MMsINC code: MMs02068142

Type: Neutral
Formula: C₁₄H₂₀N₂O₃S

SMILES:

S(=O)(=O)(N1CCCCC1)CCNC(=O)c1ccccc1

InChI:

InChI=1/C14H20N2O3S/c17-14(13-7-3-1-4-8-13)15-9-12-20(18,19)16-10-5-2-6-11-16/h1,3-4,7-8H,2,5-6,9-12H2,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.8144 kcal/mol

Physical Properties
Molecular Weight: 296.391 g/mol	logS: -2.1692	SlogP: 1.2321	Reactive groups: 0

Topological Properties
Globularity: 0.0461303	Sterimol/B1: 3.20421	Sterimol/B2: 3.62461	Sterimol/B3: 3.62461
Sterimol/B4: 5.24792	Sterimol/L: 17.6835

Surface and Volume Properties
Accessible surface: 541.112	Positive charged surface: 345.281	Negative charged surface: 195.831	Volume: 278.25
Hydrophobic surface: 444.475	Hydrophilic surface: 96.637

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.