MMsINC Database Search


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MMsINC code: MMs01388071

Type: Neutral
Formula: C₁₇H₂₅N₃O₄S

SMILES:

S(=O)(=O)(N1CCCC1C(=O)N(C(C)C)CC(=O)N)c1ccc(cc1)C

InChI:

InChI=1/C17H25N3O4S/c1-12(2)19(11-16(18)21)17(22)15-5-4-10-20(15)25(23,24)14-8-6-13(3)7-9-14/h6-9,12,15H,4-5,10-11H2,1-3H3,(H2,18,21)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.1515 kcal/mol

Physical Properties
Molecular Weight: 367.47 g/mol	logS: -3.3243	SlogP: 0.87042	Reactive groups: 0

Topological Properties
Globularity: 0.153704	Sterimol/B1: 2.39079	Sterimol/B2: 3.8382	Sterimol/B3: 4.91308
Sterimol/B4: 8.01813	Sterimol/L: 15.8479

Surface and Volume Properties
Accessible surface: 588.947	Positive charged surface: 370.903	Negative charged surface: 218.044	Volume: 341.125
Hydrophobic surface: 397.771	Hydrophilic surface: 191.176

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.