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MMsINC code: MMs01313125

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O=C/1N(C(=O)c2c(cccc2)\C\1=C\Nc1cccc(C)c1C)c1ccccc1

InChI:

InChI=1/C24H20N2O2/c1-16-9-8-14-22(17(16)2)25-15-21-19-12-6-7-13-20(19)23(27)26(24(21)28)18-10-4-3-5-11-18/h3-15,25H,1-2H3/b21-15-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.674 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.26594	SlogP: 4.94344	Reactive groups: 0

Topological Properties
Globularity: 0.0361825	Sterimol/B1: 3.24686	Sterimol/B2: 3.72314	Sterimol/B3: 4.82628
Sterimol/B4: 8.99631	Sterimol/L: 14.8364

Surface and Volume Properties
Accessible surface: 621.948	Positive charged surface: 332.646	Negative charged surface: 289.303	Volume: 363.125
Hydrophobic surface: 577.97	Hydrophilic surface: 43.978

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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Ions/Tautomers related molecules

MMs01313126
ENAMINE-ZINC03220609