MMsINC Database Search


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MMsINC code: MMs02107948

Type: Neutral
Formula: C₂₂H₁₆N₂O₄

SMILES:

O(C)c1ccc(cc1)C(O\N=C/1\c2c(N(C\1=O)c1ccccc1)cccc2)=O

InChI:

InChI=1/C22H16N2O4/c1-27-17-13-11-15(12-14-17)22(26)28-23-20-18-9-5-6-10-19(18)24(21(20)25)16-7-3-2-4-8-16/h2-14H,1H3/b23-20-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=166.889 kcal/mol

Physical Properties
Molecular Weight: 372.38 g/mol	logS: -6.1002	SlogP: 3.9346	Reactive groups: 0

Topological Properties
Globularity: 0.0246587	Sterimol/B1: 3.35886	Sterimol/B2: 3.53909	Sterimol/B3: 4.12577
Sterimol/B4: 8.41697	Sterimol/L: 17.1827

Surface and Volume Properties
Accessible surface: 643.539	Positive charged surface: 376.205	Negative charged surface: 267.335	Volume: 346.75
Hydrophobic surface: 544.457	Hydrophilic surface: 99.082

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.