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MMsINC code: MMs00602595

Type: Neutral
Formula: C₁₄H₁₉NO₄

SMILES:

O(C)c1cc(ccc1OC)CCNC(=O)\C=C(/O)\C

InChI:

InChI=1/C14H19NO4/c1-10(16)8-14(17)15-7-6-11-4-5-12(18-2)13(9-11)19-3/h4-5,8-9,16H,6-7H2,1-3H3,(H,15,17)/b10-8-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.2371 kcal/mol

Physical Properties
Molecular Weight: 265.309 g/mol	logS: -1.8805	SlogP: 1.82427	Reactive groups: 0

Topological Properties
Globularity: 0.0514057	Sterimol/B1: 3.60425	Sterimol/B2: 3.60688	Sterimol/B3: 3.93183
Sterimol/B4: 5.583	Sterimol/L: 17.6203

Surface and Volume Properties
Accessible surface: 539.318	Positive charged surface: 392.734	Negative charged surface: 146.584	Volume: 260.875
Hydrophobic surface: 440.957	Hydrophilic surface: 98.361

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs00602598 CHEMBRIDGE-ZINC00293254	MMs00602599 CHEMBRIDGE-ZINC00293254	MMs00602597 CHEMBRIDGE-ZINC00293254
MMs00602596 CHEMBRIDGE-ZINC00293254