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MMsINC code: MMs02699894

Type: Neutral
Formula: C₁₈H₁₉NO₃

SMILES:

OC(=O)Cc1ccc(NC(=O)C(CC)c2ccccc2)cc1

InChI:

InChI=1/C18H19NO3/c1-2-16(14-6-4-3-5-7-14)18(22)19-15-10-8-13(9-11-15)12-17(20)21/h3-11,16H,2,12H2,1H3,(H,19,22)(H,20,21)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.0115 kcal/mol

Physical Properties
Molecular Weight: 297.354 g/mol	logS: -4.1642	SlogP: 3.44597	Reactive groups: 0

Topological Properties
Globularity: 0.0603052	Sterimol/B1: 2.36641	Sterimol/B2: 3.57487	Sterimol/B3: 3.988
Sterimol/B4: 7.19365	Sterimol/L: 16.5929

Surface and Volume Properties
Accessible surface: 564.421	Positive charged surface: 347.941	Negative charged surface: 216.48	Volume: 294.75
Hydrophobic surface: 421.583	Hydrophilic surface: 142.838

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

MMs02699895
PUBCHEM-ZINC00527800