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MMsINC code: MMs02368009

Type: Neutral
Formula: C₁₉H₃₂N₂O₄S

SMILES:

S1CC(N(C=O)C1(C)C)C(=O)NC(C(CC)C)C(OC1CCCCC1)=O

InChI:

InChI=1/C19H32N2O4S/c1-5-13(2)16(18(24)25-14-9-7-6-8-10-14)20-17(23)15-11-26-19(3,4)21(15)12-22/h12-16H,5-11H2,1-4H3,(H,20,23)/t13-,15-,16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2255 kcal/mol

Physical Properties
Molecular Weight: 384.541 g/mol	logS: -4.70235	SlogP: 2.7031	Reactive groups: 0

Topological Properties
Globularity: 0.104488	Sterimol/B1: 2.16658	Sterimol/B2: 2.61797	Sterimol/B3: 5.61186
Sterimol/B4: 8.97648	Sterimol/L: 15.9804

Surface and Volume Properties
Accessible surface: 634.95	Positive charged surface: 436.482	Negative charged surface: 198.468	Volume: 378.75
Hydrophobic surface: 461.997	Hydrophilic surface: 172.953

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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.