MMsINC Database Search


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MMsINC code: MMs01258639

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

O(c1ccc(OC(C(=O)N2CCCc3c2cccc3)C)cc1)c1ccccc1

InChI:

InChI=1/C24H23NO3/c1-18(24(26)25-17-7-9-19-8-5-6-12-23(19)25)27-21-13-15-22(16-14-21)28-20-10-3-2-4-11-20/h2-6,8,10-16,18H,7,9,17H2,1H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.28 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -5.82126	SlogP: 5.22557	Reactive groups: 0

Topological Properties
Globularity: 0.0475446	Sterimol/B1: 1.969	Sterimol/B2: 4.66449	Sterimol/B3: 5.62248
Sterimol/B4: 5.8045	Sterimol/L: 18.9202

Surface and Volume Properties
Accessible surface: 655.866	Positive charged surface: 391.627	Negative charged surface: 264.24	Volume: 369.25
Hydrophobic surface: 609.286	Hydrophilic surface: 46.58

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

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.