MMsINC Database Search


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MMsINC code: MMs01432702

Type: Neutral
Formula: C₂₆H₂₆N₂O₂

SMILES:

O(CC)c1ccc(cc1OC)CN(C)c1nc2c(cccc2)c(c1)-c1ccccc1

InChI:

InChI=1/C26H26N2O2/c1-4-30-24-15-14-19(16-25(24)29-3)18-28(2)26-17-22(20-10-6-5-7-11-20)21-12-8-9-13-23(21)27-26/h5-17H,4,18H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.525 kcal/mol

Physical Properties
Molecular Weight: 398.506 g/mol	logS: -6.83434	SlogP: 6.2119	Reactive groups: 0

Topological Properties
Globularity: 0.138121	Sterimol/B1: 2.75246	Sterimol/B2: 5.32188	Sterimol/B3: 6.49136
Sterimol/B4: 6.7153	Sterimol/L: 17.2664

Surface and Volume Properties
Accessible surface: 678.601	Positive charged surface: 453.981	Negative charged surface: 216.649	Volume: 407
Hydrophobic surface: 612.936	Hydrophilic surface: 65.665

Pharmacophoric Properties
Hydrogen bond donors: 0	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.