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MMsINC code: MMs02611110

Type: Neutral
Formula: C₁₉H₂₅NO₅

SMILES:

O(C(=O)C(NC(=O)CC1(CCCC1)CC(O)=O)Cc1ccccc1)C

InChI:

InChI=1/C19H25NO5/c1-25-18(24)15(11-14-7-3-2-4-8-14)20-16(21)12-19(13-17(22)23)9-5-6-10-19/h2-4,7-8,15H,5-6,9-13H2,1H3,(H,20,21)(H,22,23)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.7205 kcal/mol

Physical Properties
Molecular Weight: 347.411 g/mol	logS: -3.92094	SlogP: 2.31207	Reactive groups: 0

Topological Properties
Globularity: 0.131015	Sterimol/B1: 1.969	Sterimol/B2: 3.19553	Sterimol/B3: 4.2643
Sterimol/B4: 10.9998	Sterimol/L: 12.3

Surface and Volume Properties
Accessible surface: 610.802	Positive charged surface: 421.83	Negative charged surface: 188.972	Volume: 338.125
Hydrophobic surface: 487.973	Hydrophilic surface: 122.829

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02611111
PEAKDALE-ZINC01498894