MMsINC Database Search


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MMsINC code: MMs02980361

Type: Neutral
Formula: C₁₄H₂₀N₂O₃

SMILES:

OCCNC(=O)C(=O)NC(CCc1ccccc1)C

InChI:

InChI=1/C14H20N2O3/c1-11(7-8-12-5-3-2-4-6-12)16-14(19)13(18)15-9-10-17/h2-6,11,17H,7-10H2,1H3,(H,15,18)(H,16,19)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.6259 kcal/mol

Physical Properties
Molecular Weight: 264.325 g/mol	logS: -2.09149	SlogP: 0.23237	Reactive groups: 0

Topological Properties
Globularity: 0.0500821	Sterimol/B1: 2.23503	Sterimol/B2: 2.54523	Sterimol/B3: 4.23563
Sterimol/B4: 7.21635	Sterimol/L: 17.5472

Surface and Volume Properties
Accessible surface: 550.815	Positive charged surface: 367.262	Negative charged surface: 183.554	Volume: 265.75
Hydrophobic surface: 390.842	Hydrophilic surface: 159.973

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: no related molecules available.