MMsINC Database Search


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MMsINC code: MMs00726153

Type: Neutral
Formula: C₁₅H₁₈N₂O₄

SMILES:

O(C(=O)c1ccc(NC(=O)C(=O)N2CCCCC2)cc1)C

InChI:

InChI=1/C15H18N2O4/c1-21-15(20)11-5-7-12(8-6-11)16-13(18)14(19)17-9-3-2-4-10-17/h5-8H,2-4,9-10H2,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.898 kcal/mol

Physical Properties
Molecular Weight: 290.319 g/mol	logS: -2.78943	SlogP: 1.4242	Reactive groups: 0

Topological Properties
Globularity: 0.0335239	Sterimol/B1: 2.69263	Sterimol/B2: 3.4842	Sterimol/B3: 3.60371
Sterimol/B4: 4.69979	Sterimol/L: 17.896

Surface and Volume Properties
Accessible surface: 536.176	Positive charged surface: 386.748	Negative charged surface: 149.428	Volume: 272.875
Hydrophobic surface: 425.092	Hydrophilic surface: 111.084

Pharmacophoric Properties
Hydrogen bond donors: 1	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.