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MMsINC code: MMs02522818

Type: Neutral
Formula: C₁₉H₂₉NO₃

SMILES:

O(CC(O)CN(C)C1CCCCC1)c1ccc(cc1)C(=O)CC

InChI:

InChI=1/C19H29NO3/c1-3-19(22)15-9-11-18(12-10-15)23-14-17(21)13-20(2)16-7-5-4-6-8-16/h9-12,16-17,21H,3-8,13-14H2,1-2H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.3591 kcal/mol

Physical Properties
Molecular Weight: 319.445 g/mol	logS: -3.11579	SlogP: 3.2835	Reactive groups: 0

Topological Properties
Globularity: 0.0331648	Sterimol/B1: 2.9544	Sterimol/B2: 3.20741	Sterimol/B3: 3.89117
Sterimol/B4: 5.98498	Sterimol/L: 19.8637

Surface and Volume Properties
Accessible surface: 631.137	Positive charged surface: 464.02	Negative charged surface: 167.117	Volume: 335.5
Hydrophobic surface: 537.643	Hydrophilic surface: 93.494

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

MMs02522819
NIH-ZINC01078538