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MMsINC code: MMs02345357

Type: Neutral
Formula: C₂₀H₂₃NO₂

SMILES:

O(C(C(N1CCCC1)c1ccccc1)c1ccccc1)C(=O)C

InChI:

InChI=1/C20H23NO2/c1-16(22)23-20(18-12-6-3-7-13-18)19(21-14-8-9-15-21)17-10-4-2-5-11-17/h2-7,10-13,19-20H,8-9,14-15H2,1H3/t19-,20+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.359 kcal/mol

Physical Properties
Molecular Weight: 309.409 g/mol	logS: -3.99214	SlogP: 4.3189	Reactive groups: 0

Topological Properties
Globularity: 0.163139	Sterimol/B1: 2.30355	Sterimol/B2: 3.61375	Sterimol/B3: 3.71383
Sterimol/B4: 9.3173	Sterimol/L: 13.6962

Surface and Volume Properties
Accessible surface: 540.79	Positive charged surface: 367.286	Negative charged surface: 173.503	Volume: 318.75
Hydrophobic surface: 520.003	Hydrophilic surface: 20.787

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs02345358
NCID-ZINC01720329