MMsINC Database Search


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MMsINC code: MMs03156521

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O=C(N(C(=O)\C=C\c1ccccc1)c1nccc(c1)C)\C=C\c1ccccc1

InChI:

InChI=1/C24H20N2O2/c1-19-16-17-25-22(18-19)26(23(27)14-12-20-8-4-2-5-9-20)24(28)15-13-21-10-6-3-7-11-21/h2-18H,1H3/b14-12+,15-13+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.256 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -5.94277	SlogP: 4.67642	Reactive groups: 0

Topological Properties
Globularity: 0.0369695	Sterimol/B1: 2.38025	Sterimol/B2: 2.3872	Sterimol/B3: 5.90663
Sterimol/B4: 8.3208	Sterimol/L: 19.3965

Surface and Volume Properties
Accessible surface: 669.044	Positive charged surface: 359.119	Negative charged surface: 309.924	Volume: 372.75
Hydrophobic surface: 596.879	Hydrophilic surface: 72.165

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

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Ions/Tautomers related molecules: no related molecules available.