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MMsINC code: MMs03937723

Type: Neutral
Formula: C₂₄H₁₇NO₃

SMILES:

OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1cc2c(cc1)cccc2

InChI:

InChI=1/C24H17NO3/c26-23(25-18-14-13-16-7-1-2-8-17(16)15-18)21-11-5-3-9-19(21)20-10-4-6-12-22(20)24(27)28/h1-15H,(H,25,26)(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.912 kcal/mol

Physical Properties
Molecular Weight: 367.404 g/mol	logS: -7.62853	SlogP: 5.4573	Reactive groups: 0

Topological Properties
Globularity: 0.105279	Sterimol/B1: 3.34143	Sterimol/B2: 5.34976	Sterimol/B3: 5.42594
Sterimol/B4: 6.7046	Sterimol/L: 15.7532

Surface and Volume Properties
Accessible surface: 614.016	Positive charged surface: 333.292	Negative charged surface: 268.727	Volume: 348.75
Hydrophobic surface: 531.192	Hydrophilic surface: 82.824

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs03937724
SPECS-ZINC04147011