MMsINC Database Search


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MMsINC code: MMs01196153

Type: Neutral
Formula: C₂₄H₂₆N₂O

SMILES:

O=C(N(CC1CCCCC1)Cc1ccccc1)c1c2ncccc2ccc1

InChI:

InChI=1/C24H26N2O/c27-24(22-15-7-13-21-14-8-16-25-23(21)22)26(17-19-9-3-1-4-10-19)18-20-11-5-2-6-12-20/h1,3-4,7-10,13-16,20H,2,5-6,11-12,17-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=162.08 kcal/mol

Physical Properties
Molecular Weight: 358.485 g/mol	logS: -5.95583	SlogP: 5.7239	Reactive groups: 0

Topological Properties
Globularity: 0.118717	Sterimol/B1: 2.25237	Sterimol/B2: 2.78229	Sterimol/B3: 4.74318
Sterimol/B4: 10.9867	Sterimol/L: 15.4146

Surface and Volume Properties
Accessible surface: 614.271	Positive charged surface: 406.493	Negative charged surface: 202.568	Volume: 368.625
Hydrophobic surface: 580.871	Hydrophilic surface: 33.4

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: no related molecules available.