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MMsINC code: MMs02321189

Type: Neutral
Formula: C₂₄H₂₅NO₂

SMILES:

O(CC(O)CN1CCC(=CC1)c1ccccc1)c1c2c(ccc1)cccc2

InChI:

InChI=1/C24H25NO2/c26-22(18-27-24-12-6-10-21-9-4-5-11-23(21)24)17-25-15-13-20(14-16-25)19-7-2-1-3-8-19/h1-13,22,26H,14-18H2/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.176 kcal/mol

Physical Properties
Molecular Weight: 359.469 g/mol	logS: -5.32256	SlogP: 4.3688	Reactive groups: 0

Topological Properties
Globularity: 0.0226095	Sterimol/B1: 3.17561	Sterimol/B2: 3.6688	Sterimol/B3: 4.12861
Sterimol/B4: 5.93282	Sterimol/L: 21.1199

Surface and Volume Properties
Accessible surface: 671.168	Positive charged surface: 422.683	Negative charged surface: 237.002	Volume: 373.25
Hydrophobic surface: 608.974	Hydrophilic surface: 62.194

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs02321190
NCID-ZINC01688574