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MMsINC code: MMs02882798

Type: Neutral
Formula: C₂₀H₃₃NO₂

SMILES:

O(C(C)C)c1ccccc1OCCCCCCN1CCCCC1

InChI:

InChI=1/C20H33NO2/c1-18(2)23-20-13-7-6-12-19(20)22-17-11-4-3-8-14-21-15-9-5-10-16-21/h6-7,12-13,18H,3-5,8-11,14-17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.3264 kcal/mol

Physical Properties
Molecular Weight: 319.489 g/mol	logS: -3.59918	SlogP: 4.8989	Reactive groups: 0

Topological Properties
Globularity: 0.0223708	Sterimol/B1: 2.20305	Sterimol/B2: 3.42649	Sterimol/B3: 4.46512
Sterimol/B4: 7.25538	Sterimol/L: 20.8302

Surface and Volume Properties
Accessible surface: 674.285	Positive charged surface: 522.233	Negative charged surface: 152.052	Volume: 355.625
Hydrophobic surface: 621.97	Hydrophilic surface: 52.315

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs02882799
PUBCHEM-ZINC02183536