MMsINC Database Search


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MMsINC code: MMs00601475

Type: Neutral
Formula: C₂₀H₂₉NO₂

SMILES:

O(C)c1ccc(cc1)C(=O)N(C1CCCCC1)C1CCCCC1

InChI:

InChI=1/C20H29NO2/c1-23-19-14-12-16(13-15-19)20(22)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h12-15,17-18H,2-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=272.82 kcal/mol

Physical Properties
Molecular Weight: 315.457 g/mol	logS: -4.41768	SlogP: 4.8028	Reactive groups: 0

Topological Properties
Globularity: 0.135843	Sterimol/B1: 3.13609	Sterimol/B2: 3.8263	Sterimol/B3: 4.41424
Sterimol/B4: 7.1055	Sterimol/L: 15.3784

Surface and Volume Properties
Accessible surface: 550.88	Positive charged surface: 417.233	Negative charged surface: 133.647	Volume: 323.75
Hydrophobic surface: 522.735	Hydrophilic surface: 28.145

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1

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Ions/Tautomers related molecules: no related molecules available.