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MMsINC code: MMs02300936

Type: Neutral
Formula: C₂₃H₂₅NO₂

SMILES:

O(CC)c1cc(cc(O)c1)C(NCc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C23H25NO2/c1-2-26-22-15-20(14-21(25)16-22)23(13-18-9-5-3-6-10-18)24-17-19-11-7-4-8-12-19/h3-12,14-16,23-25H,2,13,17H2,1H3/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.5328 kcal/mol

Physical Properties
Molecular Weight: 347.458 g/mol	logS: -4.73829	SlogP: 5.22637	Reactive groups: 0

Topological Properties
Globularity: 0.114176	Sterimol/B1: 2.5076	Sterimol/B2: 2.62131	Sterimol/B3: 6.26614
Sterimol/B4: 8.46867	Sterimol/L: 17.4722

Surface and Volume Properties
Accessible surface: 647.786	Positive charged surface: 411.173	Negative charged surface: 236.613	Volume: 364.25
Hydrophobic surface: 557.04	Hydrophilic surface: 90.746

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02300937
NCID-ZINC01664753