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MMsINC code: MMs00867392

Type: Neutral
Formula: C₁₄H₁₉NO₃

SMILES:

OC(=O)C(NC(=O)Cc1ccccc1)CCCC

InChI:

InChI=1/C14H19NO3/c1-2-3-9-12(14(17)18)15-13(16)10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H,15,16)(H,17,18)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.9817 kcal/mol

Physical Properties
Molecular Weight: 249.31 g/mol	logS: -3.14774	SlogP: 1.98867	Reactive groups: 0

Topological Properties
Globularity: 0.0597191	Sterimol/B1: 2.04504	Sterimol/B2: 2.81099	Sterimol/B3: 3.6146
Sterimol/B4: 8.25993	Sterimol/L: 15.2418

Surface and Volume Properties
Accessible surface: 513.497	Positive charged surface: 335.21	Negative charged surface: 178.287	Volume: 254.25
Hydrophobic surface: 373.72	Hydrophilic surface: 139.777

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs00867393
CHEMDIV-ZINC01600606