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MMsINC code: MMs01342954

Type: Tautomer
Formula: C₂₄H₂₀N₂O₂

SMILES:

O=C/1N(Cc2ccccc2)C(=O)c2c(cccc2)\C\1=C/Nc1cc(ccc1)C

InChI:

InChI=1/C24H20N2O2/c1-17-8-7-11-19(14-17)25-15-22-20-12-5-6-13-21(20)23(27)26(24(22)28)16-18-9-3-2-4-10-18/h2-15,25H,16H2,1H3/b22-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.264 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.04951	SlogP: 4.89702	Reactive groups: 0

Topological Properties
Globularity: 0.0862907	Sterimol/B1: 2.83196	Sterimol/B2: 5.04233	Sterimol/B3: 5.23257
Sterimol/B4: 7.24856	Sterimol/L: 17.2542

Surface and Volume Properties
Accessible surface: 626.044	Positive charged surface: 343.809	Negative charged surface: 282.235	Volume: 365.375
Hydrophobic surface: 563.551	Hydrophilic surface: 62.493

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Parent related molecule:

MMs01342953
ENAMINE-ZINC03271713