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MMsINC code: MMs00820545

Type: Neutral
Formula: C₂₃H₂₃NO

SMILES:

OCC1N(CCCC1)Cc1c2c3c4c(cc2)cccc4ccc3cc1

InChI:

InChI=1/C23H23NO/c25-15-20-6-1-2-13-24(20)14-19-10-9-18-8-7-16-4-3-5-17-11-12-21(19)23(18)22(16)17/h3-5,7-12,20,25H,1-2,6,13-15H2/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.468 kcal/mol

Physical Properties
Molecular Weight: 329.443 g/mol	logS: -6.89308	SlogP: 5.1972	Reactive groups: 0

Topological Properties
Globularity: 0.109694	Sterimol/B1: 3.10788	Sterimol/B2: 3.28889	Sterimol/B3: 4.47501
Sterimol/B4: 7.32446	Sterimol/L: 14.6432

Surface and Volume Properties
Accessible surface: 544.284	Positive charged surface: 358.846	Negative charged surface: 160.524	Volume: 334.75
Hydrophobic surface: 507.047	Hydrophilic surface: 37.237

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs00820546
CHEMBRIDGE-ZINC04987927