MMsINC Database Search


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MMsINC code: MMs03218063

Type: Neutral
Formula: C₂₄H₂₀N₂O

SMILES:

OC(C(c1ccccc1)c1ncccc1)(c1ccccc1)c1cccnc1

InChI:

InChI=1/C24H20N2O/c27-24(20-12-5-2-6-13-20,21-14-9-16-25-18-21)23(19-10-3-1-4-11-19)22-15-7-8-17-26-22/h1-18,23,27H/t23-,24+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=171.021 kcal/mol

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

Topological Properties
Globularity: 0.224917	Sterimol/B1: 2.76037	Sterimol/B2: 3.41076	Sterimol/B3: 4.01055
Sterimol/B4: 8.58549	Sterimol/L: 12.269

Surface and Volume Properties
Accessible surface: 575.644	Positive charged surface: 364.014	Negative charged surface: 211.629	Volume: 350.25
Hydrophobic surface: 543.817	Hydrophilic surface: 31.827

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.