MMsINC Database Search


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MMsINC code: MMs01076083

Type: Neutral
Formula: C₂₁H₁₆N₂O₄

SMILES:

OC(=O)c1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1

InChI:

InChI=1/C21H16N2O4/c24-19(15-10-4-5-11-16(15)21(26)27)23-18-13-7-6-12-17(18)20(25)22-14-8-2-1-3-9-14/h1-13H,(H,22,25)(H,23,24)(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.433 kcal/mol

Physical Properties
Molecular Weight: 360.369 g/mol	logS: -5.29426	SlogP: 3.8894	Reactive groups: 0

Topological Properties
Globularity: 0.126715	Sterimol/B1: 2.4518	Sterimol/B2: 4.50722	Sterimol/B3: 5.12047
Sterimol/B4: 10.161	Sterimol/L: 14.8103

Surface and Volume Properties
Accessible surface: 617.731	Positive charged surface: 340.629	Negative charged surface: 277.102	Volume: 331.25
Hydrophobic surface: 488.761	Hydrophilic surface: 128.97

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

MMs01076084
CHEMSTAR-ZINC00668345