MMsINC Database Search


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MMsINC code: MMs00466022

Type: Neutral
Formula: C₂₄H₂₃NO

SMILES:

O=C(NC(C(CC=C)c1ccccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H23NO/c1-2-12-22(19-13-6-3-7-14-19)23(20-15-8-4-9-16-20)25-24(26)21-17-10-5-11-18-21/h2-11,13-18,22-23H,1,12H2,(H,25,26)/t22-,23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.3247 kcal/mol

Physical Properties
Molecular Weight: 341.454 g/mol	logS: -6.00789	SlogP: 5.6131	Reactive groups: 0

Topological Properties
Globularity: 0.149918	Sterimol/B1: 2.27138	Sterimol/B2: 3.39433	Sterimol/B3: 5.21801
Sterimol/B4: 10.7606	Sterimol/L: 16.4748

Surface and Volume Properties
Accessible surface: 624.277	Positive charged surface: 350	Negative charged surface: 274.277	Volume: 362.125
Hydrophobic surface: 550.504	Hydrophilic surface: 73.773

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.