MMsINC Database Search


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MMsINC code: MMs03288823

Type: Neutral
Formula: C₁₅H₂₁NO₃

SMILES:

O(C(=O)c1ccccc1NC(=O)C(CC)(C)C)CC

InChI:

InChI=1/C15H21NO3/c1-5-15(3,4)14(18)16-12-10-8-7-9-11(12)13(17)19-6-2/h7-10H,5-6H2,1-4H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.4828 kcal/mol

Physical Properties
Molecular Weight: 263.337 g/mol	logS: -3.4238	SlogP: 3.238	Reactive groups: 0

Topological Properties
Globularity: 0.0548684	Sterimol/B1: 2.85904	Sterimol/B2: 3.83806	Sterimol/B3: 3.85584
Sterimol/B4: 7.19704	Sterimol/L: 15.0625

Surface and Volume Properties
Accessible surface: 523.958	Positive charged surface: 347.606	Negative charged surface: 176.352	Volume: 268.625
Hydrophobic surface: 404.229	Hydrophilic surface: 119.729

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.