MMsINC Database Search


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MMsINC code: MMs01448144

Type: Neutral
Formula: C₁₅H₁₇NO₅

SMILES:

O(C(=O)C=C(C)C)CC(=O)Nc1ccccc1C(OC)=O

InChI:

InChI=1/C15H17NO5/c1-10(2)8-14(18)21-9-13(17)16-12-7-5-4-6-11(12)15(19)20-3/h4-8H,9H2,1-3H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.1739 kcal/mol

Physical Properties
Molecular Weight: 291.303 g/mol	logS: -3.5339	SlogP: 1.9211	Reactive groups: 0

Topological Properties
Globularity: 0.027257	Sterimol/B1: 2.2906	Sterimol/B2: 4.06721	Sterimol/B3: 4.14959
Sterimol/B4: 6.72607	Sterimol/L: 16.9218

Surface and Volume Properties
Accessible surface: 562.818	Positive charged surface: 374.319	Negative charged surface: 188.499	Volume: 277.125
Hydrophobic surface: 458.556	Hydrophilic surface: 104.262

Pharmacophoric Properties
Hydrogen bond donors: 1	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.