MMsINC Database Search


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MMsINC code: MMs00184340

Type: Neutral
Formula: C₂₄H₁₈N₂O₃

SMILES:

O=C1N(C(=O)c2c1cccc2)c1ccc(cc1)C(=O)N(CC=C)c1ccccc1

InChI:

InChI=1/C24H18N2O3/c1-2-16-25(18-8-4-3-5-9-18)22(27)17-12-14-19(15-13-17)26-23(28)20-10-6-7-11-21(20)24(26)29/h2-15H,1,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=197.978 kcal/mol

Physical Properties
Molecular Weight: 382.419 g/mol	logS: -6.11882	SlogP: 4.32	Reactive groups: 0

Topological Properties
Globularity: 0.00902042	Sterimol/B1: 2.22059	Sterimol/B2: 2.27159	Sterimol/B3: 3.40666
Sterimol/B4: 7.71688	Sterimol/L: 20.2084

Surface and Volume Properties
Accessible surface: 625.453	Positive charged surface: 328.19	Negative charged surface: 297.263	Volume: 360
Hydrophobic surface: 487.055	Hydrophilic surface: 138.398

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.