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MMsINC code: MMs02307756

Type: Neutral
Formula: C₁₈H₂₆N₂O₄

SMILES:

O1CCN(CC1)C(C(=O)Nc1ccc(cc1)C(OCCCC)=O)C

InChI:

InChI=1/C18H26N2O4/c1-3-4-11-24-18(22)15-5-7-16(8-6-15)19-17(21)14(2)20-9-12-23-13-10-20/h5-8,14H,3-4,9-13H2,1-2H3,(H,19,21)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.061 kcal/mol

Physical Properties
Molecular Weight: 334.416 g/mol	logS: -3.52948	SlogP: 2.3027	Reactive groups: 0

Topological Properties
Globularity: 0.0295302	Sterimol/B1: 2.93204	Sterimol/B2: 3.70456	Sterimol/B3: 4.18097
Sterimol/B4: 4.71213	Sterimol/L: 21.741

Surface and Volume Properties
Accessible surface: 631.621	Positive charged surface: 464.055	Negative charged surface: 167.566	Volume: 332.375
Hydrophobic surface: 506.991	Hydrophilic surface: 124.63

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

MMs02307757
NCID-ZINC01671714