MMsINC Database Search


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MMsINC code: MMs00511198

Type: Neutral
Formula: C₁₆H₁₄N₂O₄

SMILES:

OC(=O)c1ccccc1C(=O)NCC(=O)Nc1ccccc1

InChI:

InChI=1/C16H14N2O4/c19-14(18-11-6-2-1-3-7-11)10-17-15(20)12-8-4-5-9-13(12)16(21)22/h1-9H,10H2,(H,17,20)(H,18,19)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.44 kcal/mol

Physical Properties
Molecular Weight: 298.298 g/mol	logS: -3.49684	SlogP: 1.7533	Reactive groups: 0

Topological Properties
Globularity: 0.0315176	Sterimol/B1: 2.11151	Sterimol/B2: 4.05397	Sterimol/B3: 4.16672
Sterimol/B4: 5.56389	Sterimol/L: 16.441

Surface and Volume Properties
Accessible surface: 538.15	Positive charged surface: 313.269	Negative charged surface: 224.881	Volume: 273.125
Hydrophobic surface: 372.824	Hydrophilic surface: 165.326

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

MMs00511199
CHEMBLOCK-ZINC01055316