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MMsINC code: MMs03049506

Type: Neutral
Formula: C₂₃H₂₃NO₂

SMILES:

O(CCc1ccccc1)c1cc(ccc1)C1NCCc2c1ccc(O)c2

InChI:

InChI=1/C23H23NO2/c25-20-9-10-22-18(15-20)11-13-24-23(22)19-7-4-8-21(16-19)26-14-12-17-5-2-1-3-6-17/h1-10,15-16,23-25H,11-14H2/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3599 kcal/mol

Physical Properties
Molecular Weight: 345.442 g/mol	logS: -4.59495	SlogP: 4.34424	Reactive groups: 0

Topological Properties
Globularity: 0.0449851	Sterimol/B1: 3.83477	Sterimol/B2: 4.2343	Sterimol/B3: 4.95882
Sterimol/B4: 5.24316	Sterimol/L: 18.7184

Surface and Volume Properties
Accessible surface: 638.759	Positive charged surface: 412.352	Negative charged surface: 226.407	Volume: 352.25
Hydrophobic surface: 559.97	Hydrophilic surface: 78.789

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03049507
PUBCHEM-ZINC03702581