MMsINC Database Search


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MMsINC code: MMs02903605

Type: Neutral
Formula: C₁₇H₁₆N₂O₄

SMILES:

OC(=O)C(N)CNC(=O)c1ccc(cc1)C(=O)c1ccccc1

InChI:

InChI=1/C17H16N2O4/c18-14(17(22)23)10-19-16(21)13-8-6-12(7-9-13)15(20)11-4-2-1-3-5-11/h1-9,14H,10,18H2,(H,19,21)(H,22,23)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.147 kcal/mol

Physical Properties
Molecular Weight: 312.325 g/mol	logS: -3.29102	SlogP: 1.0593	Reactive groups: 0

Topological Properties
Globularity: 0.0293808	Sterimol/B1: 2.41761	Sterimol/B2: 2.79009	Sterimol/B3: 3.48328
Sterimol/B4: 7.31022	Sterimol/L: 17.9326

Surface and Volume Properties
Accessible surface: 559.073	Positive charged surface: 309.407	Negative charged surface: 249.666	Volume: 289.5
Hydrophobic surface: 337.692	Hydrophilic surface: 221.381

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.