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MMsINC code: MMs00723484

Type: Neutral
Formula: C₂₉H₂₆N₂O

SMILES:

O=C(Nc1ccccc1-c1ccccc1)c1ccc(cc1)CN1CCc2c(C1)cccc2

InChI:

InChI=1/C29H26N2O/c32-29(30-28-13-7-6-12-27(28)24-9-2-1-3-10-24)25-16-14-22(15-17-25)20-31-19-18-23-8-4-5-11-26(23)21-31/h1-17H,18-21H2,(H,30,32)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.555 kcal/mol

Physical Properties
Molecular Weight: 418.54 g/mol	logS: -7.60447	SlogP: 6.69697	Reactive groups: 0

Topological Properties
Globularity: 0.121682	Sterimol/B1: 2.48506	Sterimol/B2: 3.6666	Sterimol/B3: 6.60104
Sterimol/B4: 8.98965	Sterimol/L: 18.7568

Surface and Volume Properties
Accessible surface: 724.723	Positive charged surface: 430.982	Negative charged surface: 289.784	Volume: 429.25
Hydrophobic surface: 687.187	Hydrophilic surface: 37.536

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: 0

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Ions/Tautomers related molecules

MMs00723485
CHEMBRIDGE-ZINC02838418