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MMsINC code: MMs02764764

Type: Neutral
Formula: C₁₈H₁₉NO₃

SMILES:

OC(=O)c1cccc(NC(=O)C(CC)c2ccccc2)c1C

InChI:

InChI=1/C18H19NO3/c1-3-14(13-8-5-4-6-9-13)17(20)19-16-11-7-10-15(12(16)2)18(21)22/h4-11,14H,3H2,1-2H3,(H,19,20)(H,21,22)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.2974 kcal/mol

Physical Properties
Molecular Weight: 297.354 g/mol	logS: -4.2632	SlogP: 3.82552	Reactive groups: 0

Topological Properties
Globularity: 0.0573843	Sterimol/B1: 2.3573	Sterimol/B2: 3.72309	Sterimol/B3: 3.75378
Sterimol/B4: 7.78622	Sterimol/L: 16.2891

Surface and Volume Properties
Accessible surface: 541.558	Positive charged surface: 326.88	Negative charged surface: 214.678	Volume: 293.75
Hydrophobic surface: 413.065	Hydrophilic surface: 128.493

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

MMs02764765
PUBCHEM-ZINC01074860