MMsINC Database Search


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MMsINC code: MMs00390167

Type: Neutral
Formula: C₁₅H₁₈N₂O₄

SMILES:

O(CCCC)c1ccc(cc1)CC1C(=O)NC(=O)NC1=O

InChI:

InChI=1/C15H18N2O4/c1-2-3-8-21-11-6-4-10(5-7-11)9-12-13(18)16-15(20)17-14(12)19/h4-7,12H,2-3,8-9H2,1H3,(H2,16,17,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.1253 kcal/mol

Physical Properties
Molecular Weight: 290.319 g/mol	logS: -3.20822	SlogP: 1.39017	Reactive groups: 0

Topological Properties
Globularity: 0.0278345	Sterimol/B1: 2.64222	Sterimol/B2: 3.35229	Sterimol/B3: 3.9324
Sterimol/B4: 5.23343	Sterimol/L: 17.3194

Surface and Volume Properties
Accessible surface: 525.011	Positive charged surface: 339.621	Negative charged surface: 185.39	Volume: 270.25
Hydrophobic surface: 323.728	Hydrophilic surface: 201.283

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.