MMsINC Database Search


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MMsINC code: MMs00283079

Type: Neutral
Formula: C₁₅H₁₈N₂O₅

SMILES:

O(C)c1cc(ccc1OC)CC1C(=O)N(C)C(=O)N(C)C1=O

InChI:

InChI=1/C15H18N2O5/c1-16-13(18)10(14(19)17(2)15(16)20)7-9-5-6-11(21-3)12(8-9)22-4/h5-6,8,10H,7H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.8101 kcal/mol

Physical Properties
Molecular Weight: 306.318 g/mol	logS: -2.00242	SlogP: 0.91287	Reactive groups: 0

Topological Properties
Globularity: 0.0605063	Sterimol/B1: 3.03593	Sterimol/B2: 3.78945	Sterimol/B3: 4.0497
Sterimol/B4: 5.86643	Sterimol/L: 14.8999

Surface and Volume Properties
Accessible surface: 531.257	Positive charged surface: 424.591	Negative charged surface: 106.666	Volume: 280.625
Hydrophobic surface: 431.086	Hydrophilic surface: 100.171

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.