MMsINC Database Search


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MMsINC code: MMs03218029

Type: Neutral
Formula: C₂₄H₂₀N₂O

SMILES:

OC(C(c1ccccc1)c1ncccc1)(c1ccccc1)c1ccncc1

InChI:

InChI=1/C24H20N2O/c27-24(20-11-5-2-6-12-20,21-14-17-25-18-15-21)23(19-9-3-1-4-10-19)22-13-7-8-16-26-22/h1-18,23,27H/t23-,24+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=171.32 kcal/mol

Physical Properties
Molecular Weight: 352.437 g/mol	logS: -4.03227	SlogP: 4.8561	Reactive groups: 0

Topological Properties
Globularity: 0.236068	Sterimol/B1: 2.62334	Sterimol/B2: 3.51219	Sterimol/B3: 4.17679
Sterimol/B4: 9.55501	Sterimol/L: 13.2193

Surface and Volume Properties
Accessible surface: 574.544	Positive charged surface: 370.392	Negative charged surface: 204.152	Volume: 353.875
Hydrophobic surface: 541.137	Hydrophilic surface: 33.407

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.