MMsINC Database Search


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MMsINC code: MMs01765398

Type: Neutral
Formula: C₂₃H₂₆N₂O₄

SMILES:

O(C)c1cc(ccc1OC)C(=O)N(CC1=Cc2cc(ccc2NC1=O)C)C(C)C

InChI:

InChI=1/C23H26N2O4/c1-14(2)25(23(27)16-7-9-20(28-4)21(12-16)29-5)13-18-11-17-10-15(3)6-8-19(17)24-22(18)26/h6-12,14H,13H2,1-5H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=292.553 kcal/mol

Physical Properties
Molecular Weight: 394.471 g/mol	logS: -5.28836	SlogP: 3.89852	Reactive groups: 0

Topological Properties
Globularity: 0.0503055	Sterimol/B1: 3.06749	Sterimol/B2: 4.05268	Sterimol/B3: 4.41663
Sterimol/B4: 7.76386	Sterimol/L: 18.9429

Surface and Volume Properties
Accessible surface: 658.18	Positive charged surface: 463.738	Negative charged surface: 194.442	Volume: 379.625
Hydrophobic surface: 524.845	Hydrophilic surface: 133.335

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.