MMsINC Database Search


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MMsINC code: MMs00930566

Type: Neutral
Formula: C₁₅H₁₈N₂O₄

SMILES:

OC(=O)CCC(=O)Nc1ccccc1C(=O)N1CCCC1

InChI:

InChI=1/C15H18N2O4/c18-13(7-8-14(19)20)16-12-6-2-1-5-11(12)15(21)17-9-3-4-10-17/h1-2,5-6H,3-4,7-10H2,(H,16,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.6641 kcal/mol

Physical Properties
Molecular Weight: 290.319 g/mol	logS: -1.93917	SlogP: 1.7259	Reactive groups: 0

Topological Properties
Globularity: 0.0342361	Sterimol/B1: 2.74664	Sterimol/B2: 2.85386	Sterimol/B3: 3.76856
Sterimol/B4: 7.82152	Sterimol/L: 16.2439

Surface and Volume Properties
Accessible surface: 535.904	Positive charged surface: 362.226	Negative charged surface: 173.678	Volume: 272.75
Hydrophobic surface: 376.461	Hydrophilic surface: 159.443

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00930567
CHEMDIV-ZINC04171275