MMsINC Database Search


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MMsINC code: MMs02956862

Type: Neutral
Formula: C₁₄H₁₈N₂O₄

SMILES:

OC(=O)CCC(=O)NCC(=O)NCCc1ccccc1

InChI:

InChI=1/C14H18N2O4/c17-12(6-7-14(19)20)16-10-13(18)15-9-8-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,18)(H,16,17)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.9925 kcal/mol

Physical Properties
Molecular Weight: 278.308 g/mol	logS: -1.52473	SlogP: 0.32627	Reactive groups: 0

Topological Properties
Globularity: 0.0318866	Sterimol/B1: 2.66091	Sterimol/B2: 3.6171	Sterimol/B3: 3.61953
Sterimol/B4: 4.40061	Sterimol/L: 20.2954

Surface and Volume Properties
Accessible surface: 556.655	Positive charged surface: 359.992	Negative charged surface: 196.662	Volume: 266.375
Hydrophobic surface: 355.864	Hydrophilic surface: 200.791

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

MMs02956863
PUBCHEM-ZINC02904421