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MMsINC code: MMs03072965

Type: Neutral
Formula: C₂₄H₂₁NO₂

SMILES:

OC(=O)Cc1c2cc(ccc2[nH]c1-c1ccc(cc1)-c1ccccc1)CC

InChI:

InChI=1/C24H21NO2/c1-2-16-8-13-22-20(14-16)21(15-23(26)27)24(25-22)19-11-9-18(10-12-19)17-6-4-3-5-7-17/h3-14,25H,2,15H2,1H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.704 kcal/mol

Physical Properties
Molecular Weight: 355.437 g/mol	logS: -7.51635	SlogP: 5.69134	Reactive groups: 0

Topological Properties
Globularity: 0.0443545	Sterimol/B1: 2.90203	Sterimol/B2: 4.1065	Sterimol/B3: 5.01867
Sterimol/B4: 5.3056	Sterimol/L: 20.0079

Surface and Volume Properties
Accessible surface: 638.349	Positive charged surface: 350.311	Negative charged surface: 273.348	Volume: 357.75
Hydrophobic surface: 504.636	Hydrophilic surface: 133.713

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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

MMs03072966
PUBCHEM-ZINC03759832