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MMsINC code: MMs02476336

Type: Neutral
Formula: C₂₄H₂₃NO₂

SMILES:

OC1c2c(ccc3CCN(Cc23)Cc2ccccc2)C(O)c2c1cccc2

InChI:

InChI=1/C24H23NO2/c26-23-18-8-4-5-9-19(18)24(27)22-20(23)11-10-17-12-13-25(15-21(17)22)14-16-6-2-1-3-7-16/h1-11,23-24,26-27H,12-15H2/t23-,24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.941 kcal/mol

Physical Properties
Molecular Weight: 357.453 g/mol	logS: -4.64044	SlogP: 4.44547	Reactive groups: 0

Topological Properties
Globularity: 0.0596585	Sterimol/B1: 3.4767	Sterimol/B2: 4.19249	Sterimol/B3: 4.50678
Sterimol/B4: 5.85136	Sterimol/L: 18.2573

Surface and Volume Properties
Accessible surface: 605.732	Positive charged surface: 373.91	Negative charged surface: 231.822	Volume: 353.625
Hydrophobic surface: 532.552	Hydrophilic surface: 73.18

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02476337
NCID-ZINC05568134