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MMsINC code: MMs02059228

Type: Neutral
Formula: C₁₈H₂₆N₂O₄

SMILES:

O1CCN(CC1)C(CNC(=O)C(C)(C)C)c1cc2OCOc2cc1

InChI:

InChI=1/C18H26N2O4/c1-18(2,3)17(21)19-11-14(20-6-8-22-9-7-20)13-4-5-15-16(10-13)24-12-23-15/h4-5,10,14H,6-9,11-12H2,1-3H3,(H,19,21)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.3553 kcal/mol

Physical Properties
Molecular Weight: 334.416 g/mol	logS: -2.28815	SlogP: 2.0464	Reactive groups: 0

Topological Properties
Globularity: 0.115316	Sterimol/B1: 3.29885	Sterimol/B2: 3.97158	Sterimol/B3: 4.15853
Sterimol/B4: 9.40127	Sterimol/L: 14.4737

Surface and Volume Properties
Accessible surface: 583.024	Positive charged surface: 437.57	Negative charged surface: 145.453	Volume: 331.125
Hydrophobic surface: 437.647	Hydrophilic surface: 145.377

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

MMs02059229
IFLAB-ZINC04568649