MMsINC Database Search


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MMsINC code: MMs01189467

Type: Neutral
Formula: C₂₄H₂₂N₂O₃

SMILES:

O1c2cc(ccc2OC1)CN(C(=O)C1(CC1)c1ccccc1)Cc1ncccc1

InChI:

InChI=1/C24H22N2O3/c27-23(24(11-12-24)19-6-2-1-3-7-19)26(16-20-8-4-5-13-25-20)15-18-9-10-21-22(14-18)29-17-28-21/h1-10,13-14H,11-12,15-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.852 kcal/mol

Physical Properties
Molecular Weight: 386.451 g/mol	logS: -4.17367	SlogP: 4.6037	Reactive groups: 0

Topological Properties
Globularity: 0.199963	Sterimol/B1: 2.097	Sterimol/B2: 2.29877	Sterimol/B3: 6.86594
Sterimol/B4: 9.8001	Sterimol/L: 15.6381

Surface and Volume Properties
Accessible surface: 616.747	Positive charged surface: 385.581	Negative charged surface: 231.166	Volume: 379
Hydrophobic surface: 499.095	Hydrophilic surface: 117.652

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0

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Ions/Tautomers related molecules: no related molecules available.