MMsINC Database Search


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MMsINC code: MMs01058322

Type: Neutral
Formula: C₂₆H₂₆N₂O₂

SMILES:

OC(=O)c1n(c2c(cccc2)c1CNCc1ccc(cc1)CC)Cc1ccccc1

InChI:

InChI=1/C26H26N2O2/c1-2-19-12-14-20(15-13-19)16-27-17-23-22-10-6-7-11-24(22)28(25(23)26(29)30)18-21-8-4-3-5-9-21/h3-15,27H,2,16-18H2,1H3,(H,29,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.47 kcal/mol

Physical Properties
Molecular Weight: 398.506 g/mol	logS: -5.95655	SlogP: 6.03917	Reactive groups: 0

Topological Properties
Globularity: 0.0551722	Sterimol/B1: 3.42127	Sterimol/B2: 4.47874	Sterimol/B3: 4.59225
Sterimol/B4: 6.98275	Sterimol/L: 20.585

Surface and Volume Properties
Accessible surface: 695.143	Positive charged surface: 423.291	Negative charged surface: 267.766	Volume: 406.625
Hydrophobic surface: 576.033	Hydrophilic surface: 119.11

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.