MMsINC Database Search


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MMsINC code: MMs03251499

Type: Neutral
Formula: C₁₇H₁₆N₂O₄

SMILES:

O(C(=O)c1ccccc1NC(=O)c1ccccc1NC(=O)C)C

InChI:

InChI=1/C17H16N2O4/c1-11(20)18-14-9-5-3-7-12(14)16(21)19-15-10-6-4-8-13(15)17(22)23-2/h3-10H,1-2H3,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.6651 kcal/mol

Physical Properties
Molecular Weight: 312.325 g/mol	logS: -3.94605	SlogP: 2.6839	Reactive groups: 0

Topological Properties
Globularity: 0.0243005	Sterimol/B1: 2.57257	Sterimol/B2: 3.22159	Sterimol/B3: 3.6028
Sterimol/B4: 8.00635	Sterimol/L: 15.4285

Surface and Volume Properties
Accessible surface: 554.989	Positive charged surface: 352.49	Negative charged surface: 202.499	Volume: 291.5
Hydrophobic surface: 466.304	Hydrophilic surface: 88.685

Pharmacophoric Properties
Hydrogen bond donors: 2	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.