MMsINC Database Search


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MMsINC code: MMs00821206

Type: Neutral
Formula: C₂₄H₃₄N₂O

SMILES:

O(CCCCCC)c1ccc(cc1)CN1CCN(CC1)Cc1ccccc1

InChI:

InChI=1/C24H34N2O/c1-2-3-4-8-19-27-24-13-11-23(12-14-24)21-26-17-15-25(16-18-26)20-22-9-6-5-7-10-22/h5-7,9-14H,2-4,8,15-21H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.8888 kcal/mol

Physical Properties
Molecular Weight: 366.549 g/mol	logS: -5.19598	SlogP: 5.4963	Reactive groups: 0

Topological Properties
Globularity: 0.0321029	Sterimol/B1: 3.39552	Sterimol/B2: 3.63276	Sterimol/B3: 4.8325
Sterimol/B4: 7.74961	Sterimol/L: 20.763

Surface and Volume Properties
Accessible surface: 736.588	Positive charged surface: 549.96	Negative charged surface: 186.627	Volume: 402.25
Hydrophobic surface: 692.705	Hydrophilic surface: 43.883

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs00821207
CHEMBRIDGE-ZINC04989071