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MMsINC code: MMs03365550

Type: Neutral
Formula: C₂₃H₂₉NO₂

SMILES:

O(C(=O)C(c1ccccc1)c1ccccc1)CCCN1CCCCC1C

InChI:

InChI=1/C23H29NO2/c1-19-11-8-9-16-24(19)17-10-18-26-23(25)22(20-12-4-2-5-13-20)21-14-6-3-7-15-21/h2-7,12-15,19,22H,8-11,16-18H2,1H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.5694 kcal/mol

Physical Properties
Molecular Weight: 351.49 g/mol	logS: -4.65156	SlogP: 4.6262	Reactive groups: 0

Topological Properties
Globularity: 0.0599918	Sterimol/B1: 2.04324	Sterimol/B2: 3.52865	Sterimol/B3: 4.4101
Sterimol/B4: 8.88767	Sterimol/L: 18.0568

Surface and Volume Properties
Accessible surface: 670.306	Positive charged surface: 456.32	Negative charged surface: 213.985	Volume: 374
Hydrophobic surface: 624.238	Hydrophilic surface: 46.068

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03365551
PUBCHEM-ZINC05735624