MMsINC Database Search


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MMsINC code: MMs03190916

Type: Neutral
Formula: C₂₄H₂₉NO

SMILES:

o1c(ccc1C)C(CCN(Cc1ccccc1)CCc1ccccc1)C

InChI:

InChI=1/C24H29NO/c1-20(24-14-13-21(2)26-24)15-17-25(19-23-11-7-4-8-12-23)18-16-22-9-5-3-6-10-22/h3-14,20H,15-19H2,1-2H3/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.9275 kcal/mol

Physical Properties
Molecular Weight: 347.502 g/mol	logS: -5.38357	SlogP: 6.09289	Reactive groups: 0

Topological Properties
Globularity: 0.0749027	Sterimol/B1: 2.33307	Sterimol/B2: 4.79111	Sterimol/B3: 5.59934
Sterimol/B4: 6.94252	Sterimol/L: 18.5151

Surface and Volume Properties
Accessible surface: 652.117	Positive charged surface: 402.757	Negative charged surface: 249.36	Volume: 378.625
Hydrophobic surface: 620.8	Hydrophilic surface: 31.317

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03190917
PUBCHEM-ZINC05031966