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MMsINC code: MMs03375038

Type: Neutral
Formula: C₂₃H₂₃NO₂

SMILES:

OCC(NCc1cc2c(c3c(c4c(cc3)cccc4)cc2)cc1)(CO)C

InChI:

InChI=1/C23H23NO2/c1-23(14-25,15-26)24-13-16-6-9-20-18(12-16)8-11-21-19-5-3-2-4-17(19)7-10-22(20)21/h2-12,24-26H,13-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.822 kcal/mol

Physical Properties
Molecular Weight: 345.442 g/mol	logS: -6.68115	SlogP: 4.2455	Reactive groups: 0

Topological Properties
Globularity: 0.0320823	Sterimol/B1: 2.46691	Sterimol/B2: 2.91044	Sterimol/B3: 4.2624
Sterimol/B4: 5.96924	Sterimol/L: 19.1278

Surface and Volume Properties
Accessible surface: 610.499	Positive charged surface: 359.48	Negative charged surface: 219.947	Volume: 348.5
Hydrophobic surface: 491.916	Hydrophilic surface: 118.583

Pharmacophoric Properties
Hydrogen bond donors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs03375039
PUBCHEM-ZINC05761713