MMsINC Database Search


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MMsINC code: MMs00660944

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

OC1(c2c(N(Cc3ccccc3)C1=O)cccc2)c1c2c([nH]c1C)cccc2

InChI:

InChI=1/C24H20N2O2/c1-16-22(18-11-5-7-13-20(18)25-16)24(28)19-12-6-8-14-21(19)26(23(24)27)15-17-9-3-2-4-10-17/h2-14,25,28H,15H2,1H3/t24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.307 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -5.53993	SlogP: 4.83692	Reactive groups: 0

Topological Properties
Globularity: 0.237364	Sterimol/B1: 2.26984	Sterimol/B2: 5.80928	Sterimol/B3: 6.2816
Sterimol/B4: 6.44231	Sterimol/L: 14.426

Surface and Volume Properties
Accessible surface: 582.752	Positive charged surface: 341.409	Negative charged surface: 237.19	Volume: 360
Hydrophobic surface: 495.448	Hydrophilic surface: 87.304

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.