MMsINC Database Search


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MMsINC code: MMs02670437

Type: Neutral
Formula: C₁₉H₂₀N₂O₄

SMILES:

OC(=O)CCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1

InChI:

InChI=1/C19H20N2O4/c22-17(10-11-18(23)24)21-16-9-5-4-8-15(16)19(25)20-13-12-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,25)(H,21,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.457 kcal/mol

Physical Properties
Molecular Weight: 340.379 g/mol	logS: -3.32215	SlogP: 2.46237	Reactive groups: 0

Topological Properties
Globularity: 0.0377853	Sterimol/B1: 3.53288	Sterimol/B2: 3.6916	Sterimol/B3: 3.72085
Sterimol/B4: 9.00591	Sterimol/L: 18.0139

Surface and Volume Properties
Accessible surface: 632.358	Positive charged surface: 381.215	Negative charged surface: 251.143	Volume: 325.5
Hydrophobic surface: 468.952	Hydrophilic surface: 163.406

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs02670438
PUBCHEM-ZINC00386861