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MMsINC code: MMs01336840

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O=C/1N(C(=O)c2c(cccc2)\C\1=C\Nc1ccc(cc1)C)c1cc(ccc1)C

InChI:

InChI=1/C24H20N2O2/c1-16-10-12-18(13-11-16)25-15-22-20-8-3-4-9-21(20)23(27)26(24(22)28)19-7-5-6-17(2)14-19/h3-15,25H,1-2H3/b22-15-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.421 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -6.57939	SlogP: 4.94344	Reactive groups: 0

Topological Properties
Globularity: 0.0478599	Sterimol/B1: 3.46553	Sterimol/B2: 3.75552	Sterimol/B3: 4.43281
Sterimol/B4: 9.22141	Sterimol/L: 17.6624

Surface and Volume Properties
Accessible surface: 655.488	Positive charged surface: 350.582	Negative charged surface: 304.905	Volume: 362.375
Hydrophobic surface: 603.167	Hydrophilic surface: 52.321

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

MMs01336841
ENAMINE-ZINC03261169