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MMsINC code: MMs01178183

Type: Neutral
Formula: C₂₃H₃₂N₂O₂

SMILES:

o1c2c(cc1CN(C(=O)CCN1CCCCC1)C1CCCCC1)cccc2

InChI:

InChI=1/C23H32N2O2/c26-23(13-16-24-14-7-2-8-15-24)25(20-10-3-1-4-11-20)18-21-17-19-9-5-6-12-22(19)27-21/h5-6,9,12,17,20H,1-4,7-8,10-11,13-16,18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.4235 kcal/mol

Physical Properties
Molecular Weight: 368.521 g/mol	logS: -5.02837	SlogP: 5.2365	Reactive groups: 0

Topological Properties
Globularity: 0.0952953	Sterimol/B1: 2.42779	Sterimol/B2: 2.98792	Sterimol/B3: 5.26447
Sterimol/B4: 10.0203	Sterimol/L: 17.5108

Surface and Volume Properties
Accessible surface: 670.588	Positive charged surface: 498.927	Negative charged surface: 166.415	Volume: 384.5
Hydrophobic surface: 636.877	Hydrophilic surface: 33.711

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs01178184
COMGENEX-ZINC06675843