MMsINC Database Search


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MMsINC code: MMs01603876

Type: Neutral
Formula: C₁₉H₂₅N₃O₅S

SMILES:

S(=O)(=O)(N(C)c1ccc(cc1)C(=O)CN1C(=O)C2(NC1=O)CCCCCC2)C

InChI:

InChI=1/C19H25N3O5S/c1-21(28(2,26)27)15-9-7-14(8-10-15)16(23)13-22-17(24)19(20-18(22)25)11-5-3-4-6-12-19/h7-10H,3-6,11-13H2,1-2H3,(H,20,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.0612 kcal/mol

Physical Properties
Molecular Weight: 407.491 g/mol	logS: -4.03366	SlogP: 1.9099	Reactive groups: 0

Topological Properties
Globularity: 0.0318787	Sterimol/B1: 2.52536	Sterimol/B2: 3.9335	Sterimol/B3: 4.06302
Sterimol/B4: 5.90834	Sterimol/L: 19.2239

Surface and Volume Properties
Accessible surface: 632.258	Positive charged surface: 384.305	Negative charged surface: 247.953	Volume: 365.5
Hydrophobic surface: 461.287	Hydrophilic surface: 170.971

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.