MMsINC Database Search


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MMsINC code: MMs01060013

Type: Neutral
Formula: C₂₆H₂₆N₂O₂

SMILES:

O(C)c1ccc(cc1)CNC(=O)c1cc2c(n(Cc3ccccc3)c(C)c2C)cc1

InChI:

InChI=1/C26H26N2O2/c1-18-19(2)28(17-21-7-5-4-6-8-21)25-14-11-22(15-24(18)25)26(29)27-16-20-9-12-23(30-3)13-10-20/h4-15H,16-17H2,1-3H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.6 kcal/mol

Physical Properties
Molecular Weight: 398.506 g/mol	logS: -5.77496	SlogP: 5.77784	Reactive groups: 0

Topological Properties
Globularity: 0.054733	Sterimol/B1: 2.21164	Sterimol/B2: 3.70443	Sterimol/B3: 4.11282
Sterimol/B4: 9.585	Sterimol/L: 19.4008

Surface and Volume Properties
Accessible surface: 715.766	Positive charged surface: 443.178	Negative charged surface: 266.783	Volume: 410.25
Hydrophobic surface: 643.624	Hydrophilic surface: 72.142

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.