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MMsINC code: MMs03264294

Type: Neutral
Formula: C₂₄H₂₁NO₂

SMILES:

OC(=O)CCn1cc(c2c1cccc2)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H21NO2/c26-23(27)15-16-25-17-21(20-13-7-8-14-22(20)25)24(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,17,24H,15-16H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.071 kcal/mol

Physical Properties
Molecular Weight: 355.437 g/mol	logS: -4.89194	SlogP: 5.5626	Reactive groups: 0

Topological Properties
Globularity: 0.374844	Sterimol/B1: 2.41888	Sterimol/B2: 5.63293	Sterimol/B3: 6.03661
Sterimol/B4: 8.77427	Sterimol/L: 14.0751

Surface and Volume Properties
Accessible surface: 632.829	Positive charged surface: 343.224	Negative charged surface: 284.185	Volume: 356
Hydrophobic surface: 531.539	Hydrophilic surface: 101.29

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03264295
PUBCHEM-ZINC05421352