MMsINC Database Search


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MMsINC code: MMs00729090

Type: Neutral
Formula: C₁₄H₂₀N₂O₃

SMILES:

O(C)c1ccc(cc1)CCNC(=O)C(=O)NC(C)C

InChI:

InChI=1/C14H20N2O3/c1-10(2)16-14(18)13(17)15-9-8-11-4-6-12(19-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,15,17)(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.0586 kcal/mol

Physical Properties
Molecular Weight: 264.325 g/mol	logS: -2.46985	SlogP: 0.87847	Reactive groups: 0

Topological Properties
Globularity: 0.0324027	Sterimol/B1: 2.69209	Sterimol/B2: 2.84216	Sterimol/B3: 3.78971
Sterimol/B4: 4.91701	Sterimol/L: 19.0212

Surface and Volume Properties
Accessible surface: 550.846	Positive charged surface: 383.643	Negative charged surface: 167.204	Volume: 265.375
Hydrophobic surface: 400.03	Hydrophilic surface: 150.816

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.