MMsINC Database Search


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MMsINC code: MMs02393442

Type: Neutral
Formula: C₁₉H₃₃NO₄

SMILES:

O(C(=O)C(N1CCCCC1)(C(OCC)=O)C1CCCCCC1)CC

InChI:

InChI=1/C19H33NO4/c1-3-23-17(21)19(18(22)24-4-2,20-14-10-7-11-15-20)16-12-8-5-6-9-13-16/h16H,3-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.717 kcal/mol

Physical Properties
Molecular Weight: 339.476 g/mol	logS: -4.40293	SlogP: 3.3077	Reactive groups: 0

Topological Properties
Globularity: 0.404376	Sterimol/B1: 2.49655	Sterimol/B2: 3.25887	Sterimol/B3: 6.02286
Sterimol/B4: 10.6273	Sterimol/L: 12.5757

Surface and Volume Properties
Accessible surface: 591.836	Positive charged surface: 452.643	Negative charged surface: 139.193	Volume: 347.875
Hydrophobic surface: 517.884	Hydrophilic surface: 73.952

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: 1

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Ions/Tautomers related molecules: no related molecules available.