MMsINC Database Search


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MMsINC code: MMs02876699

Type: Neutral
Formula: C₁₄H₂₃N₃O₃S

SMILES:

S(=O)(=O)(N(CC(=O)N(CC)CC)c1ccccc1)N(C)C

InChI:

InChI=1/C14H23N3O3S/c1-5-16(6-2)14(18)12-17(21(19,20)15(3)4)13-10-8-7-9-11-13/h7-11H,5-6,12H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.4014 kcal/mol

Physical Properties
Molecular Weight: 313.422 g/mol	logS: -1.79231	SlogP: 1.1678	Reactive groups: 0

Topological Properties
Globularity: 0.291929	Sterimol/B1: 2.58297	Sterimol/B2: 5.17112	Sterimol/B3: 5.52459
Sterimol/B4: 6.28066	Sterimol/L: 12.2568

Surface and Volume Properties
Accessible surface: 529.821	Positive charged surface: 354.03	Negative charged surface: 175.791	Volume: 303.625
Hydrophobic surface: 422.17	Hydrophilic surface: 107.651

Pharmacophoric Properties
Hydrogen bond donors: 0	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.