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MMsINC code: MMs03836268

Type: Neutral
Formula: C₁₉H₃₀N₂O₃

SMILES:

O(CC(O)CN1CCC(NC(=O)c2ccccc2)CC1)CCCC

InChI:

InChI=1/C19H30N2O3/c1-2-3-13-24-15-18(22)14-21-11-9-17(10-12-21)20-19(23)16-7-5-4-6-8-16/h4-8,17-18,22H,2-3,9-15H2,1H3,(H,20,23)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.8304 kcal/mol

Physical Properties
Molecular Weight: 334.46 g/mol	logS: -2.96558	SlogP: 2.0584	Reactive groups: 0

Topological Properties
Globularity: 0.0329525	Sterimol/B1: 2.36177	Sterimol/B2: 3.66639	Sterimol/B3: 3.9835
Sterimol/B4: 6.73807	Sterimol/L: 22.948

Surface and Volume Properties
Accessible surface: 668.782	Positive charged surface: 495.789	Negative charged surface: 172.993	Volume: 351.25
Hydrophobic surface: 561.993	Hydrophilic surface: 106.789

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03836269
PUBCHEM-ZINC06656534