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MMsINC code: MMs03798471

Type: Neutral
Formula: C₁₄H₂₀N₂O₃

SMILES:

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

InChI:

InChI=1/C14H20N2O3/c1-9(2)12(13(17)18)16-14(19)15-10(3)11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H,17,18)(H2,15,16,19)/t10-,12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.9403 kcal/mol

Physical Properties
Molecular Weight: 264.325 g/mol	logS: -2.42603	SlogP: 2.2515	Reactive groups: 1

Topological Properties
Globularity: 0.106758	Sterimol/B1: 2.34594	Sterimol/B2: 3.12907	Sterimol/B3: 4.74987
Sterimol/B4: 6.33706	Sterimol/L: 14.7371

Surface and Volume Properties
Accessible surface: 503.663	Positive charged surface: 321.49	Negative charged surface: 182.174	Volume: 264.125
Hydrophobic surface: 327.274	Hydrophilic surface: 176.389

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs03798472
PUBCHEM-ZINC06564294