CHEMBRIDGE-ZINC04574510

MMsINC code: MMs00771984

• Type: Neutral
• Formula: C₁₉H₃₄N₄O₅
• SMILES: O(C(C)(C)C)C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(CC)C)C(=O)N)C
• InChI: InChI=1/C19H34N4O5/c1-7-11(2)14(15(20)24)22-16(25)13-9-8-10-23(13)17(26)12(3)21-18(27)28-19(4,5)6/h11-14H,7-10H2,1-6H3,(H2,20,24)(H,21,27)(H,22,25)/t11-,12-,13+,14-/m1/s1

Potential Energy
Epot(MMFF94)=96.1527 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 398.504 g/mol
• logS: -3.46483
• SlogP: 0.9068
• Reactive groups: 0

Topological Properties

• Globularity: 0.0660021
• Sterimol/B1: 3.45946
• Sterimol/B2: 4.45224
• Sterimol/B3: 4.91103
• Sterimol/B4: 7.28472
• Sterimol/L: 18.7692

Surface and Volume Properties

• Accessible surface: 701.696
• Positive charged surface: 500.145
• Negative charged surface: 201.551
• Volume: 394.25
• Hydrophobic surface: 435.383
• Hydrophilic surface: 266.313

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 4
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 4

Drug- and Lead-like Properties

• Lipinski's drug-like rule: 1
• Violations of Lipinski's rule: 0
• Oprea's lead like rule: 1