MMsINC Database Search


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MMsINC code: MMs00657531

Type: Neutral
Formula: C₂₆H₂₄N₂O₄

SMILES:

O(C)c1cc(ccc1OC)CNC(=O)c1cc(nc2c1cccc2)-c1cc(OC)ccc1

InChI:

InChI=1/C26H24N2O4/c1-30-19-8-6-7-18(14-19)23-15-21(20-9-4-5-10-22(20)28-23)26(29)27-16-17-11-12-24(31-2)25(13-17)32-3/h4-15H,16H2,1-3H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.06 kcal/mol

Physical Properties
Molecular Weight: 428.488 g/mol	logS: -6.43377	SlogP: 5.124	Reactive groups: 0

Topological Properties
Globularity: 0.0890737	Sterimol/B1: 1.969	Sterimol/B2: 4.22872	Sterimol/B3: 5.39476
Sterimol/B4: 12.592	Sterimol/L: 17.389

Surface and Volume Properties
Accessible surface: 747.135	Positive charged surface: 509.107	Negative charged surface: 226.932	Volume: 415.25
Hydrophobic surface: 661.103	Hydrophilic surface: 86.032

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.