MMsINC Database Search


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MMsINC code: MMs02947323

Type: Neutral
Formula: C₂₆H₂₂N₂O₄

SMILES:

O(CC)c1ccccc1-c1nc2c(cccc2)c(c1)C(=O)Nc1ccc(cc1)C(OC)=O

InChI:

InChI=1/C26H22N2O4/c1-3-32-24-11-7-5-9-20(24)23-16-21(19-8-4-6-10-22(19)28-23)25(29)27-18-14-12-17(13-15-18)26(30)31-2/h4-16H,3H2,1-2H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.99 kcal/mol

Physical Properties
Molecular Weight: 426.472 g/mol	logS: -7.09791	SlogP: 5.3394	Reactive groups: 0

Topological Properties
Globularity: 0.0106486	Sterimol/B1: 2.84028	Sterimol/B2: 2.84698	Sterimol/B3: 5.68482
Sterimol/B4: 7.53803	Sterimol/L: 21.403

Surface and Volume Properties
Accessible surface: 727.112	Positive charged surface: 443.423	Negative charged surface: 272.029	Volume: 407.875
Hydrophobic surface: 616.711	Hydrophilic surface: 110.401

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.