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MMsINC code: MMs02848630

Type: Neutral
Formula: C₂₃H₂₇NO₃

SMILES:

O(C(=O)C(O)(c1ccccc1)c1ccccc1)C1CC2N(C(C1)CCC2)C

InChI:

InChI=1/C23H27NO3/c1-24-19-13-8-14-20(24)16-21(15-19)27-22(25)23(26,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-7,9-12,19-21,26H,8,13-16H2,1H3/t19-,20+,21+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.391 kcal/mol

Physical Properties
Molecular Weight: 365.473 g/mol	logS: -4.53639	SlogP: 3.7925	Reactive groups: 0

Topological Properties
Globularity: 0.19097	Sterimol/B1: 2.11654	Sterimol/B2: 5.26278	Sterimol/B3: 6.36761
Sterimol/B4: 6.39196	Sterimol/L: 13.8047

Surface and Volume Properties
Accessible surface: 615.697	Positive charged surface: 415.099	Negative charged surface: 200.598	Volume: 365.5
Hydrophobic surface: 586.605	Hydrophilic surface: 29.092

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs02848631
PUBCHEM-ZINC02010228