MMsINC Database Search


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MMsINC code: MMs01145846

Type: Neutral
Formula: C₂₃H₂₈N₂O₂

SMILES:

o1cccc1CN(Cc1n(ccc1)Cc1ccccc1)C(=O)CCCCC

InChI:

InChI=1/C23H28N2O2/c1-2-3-5-14-23(26)25(19-22-13-9-16-27-22)18-21-12-8-15-24(21)17-20-10-6-4-7-11-20/h4,6-13,15-16H,2-3,5,14,17-19H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.9897 kcal/mol

Physical Properties
Molecular Weight: 364.489 g/mol	logS: -4.95733	SlogP: 6.0377	Reactive groups: 0

Topological Properties
Globularity: 0.133458	Sterimol/B1: 3.01925	Sterimol/B2: 4.44293	Sterimol/B3: 5.22174
Sterimol/B4: 8.97642	Sterimol/L: 18.0693

Surface and Volume Properties
Accessible surface: 684.3	Positive charged surface: 417.466	Negative charged surface: 266.834	Volume: 386
Hydrophobic surface: 602.226	Hydrophilic surface: 82.074

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.