MMsINC Database Search


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MMsINC code: MMs01168842

Type: Neutral
Formula: C₂₄H₃₀N₂O₂

SMILES:

o1cccc1CN(Cc1n(ccc1)Cc1ccc(cc1)C)C(=O)CCCCC

InChI:

InChI=1/C24H30N2O2/c1-3-4-5-10-24(27)26(19-23-9-7-16-28-23)18-22-8-6-15-25(22)17-21-13-11-20(2)12-14-21/h6-9,11-16H,3-5,10,17-19H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.2887 kcal/mol

Physical Properties
Molecular Weight: 378.516 g/mol	logS: -5.43125	SlogP: 6.34612	Reactive groups: 0

Topological Properties
Globularity: 0.15378	Sterimol/B1: 2.52043	Sterimol/B2: 4.28417	Sterimol/B3: 6.1499
Sterimol/B4: 9.44493	Sterimol/L: 17.966

Surface and Volume Properties
Accessible surface: 710.872	Positive charged surface: 441.15	Negative charged surface: 269.723	Volume: 402.75
Hydrophobic surface: 629.156	Hydrophilic surface: 81.716

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.