MMsINC Database Search


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MMsINC code: MMs01503689

Type: Neutral
Formula: C₁₉H₂₁NO₄

SMILES:

O(C(=O)C(NC(=O)c1ccc(OC)cc1)C(C)C)c1ccccc1

InChI:

InChI=1/C19H21NO4/c1-13(2)17(19(22)24-16-7-5-4-6-8-16)20-18(21)14-9-11-15(23-3)12-10-14/h4-13,17H,1-3H3,(H,20,21)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.64 kcal/mol

Physical Properties
Molecular Weight: 327.38 g/mol	logS: -4.45264	SlogP: 3.0552	Reactive groups: 0

Topological Properties
Globularity: 0.0589285	Sterimol/B1: 2.68641	Sterimol/B2: 2.98648	Sterimol/B3: 4.16798
Sterimol/B4: 7.71429	Sterimol/L: 17.3585

Surface and Volume Properties
Accessible surface: 596.777	Positive charged surface: 369.277	Negative charged surface: 227.5	Volume: 322
Hydrophobic surface: 501.76	Hydrophilic surface: 95.017

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.