MMsINC Database Search


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MMsINC code: MMs00280966

Type: Neutral
Formula: C₂₃H₂₄N₂O₃

SMILES:

O(C)c1ccc(OC)cc1NCC(O)Cn1c2c(c3c1cccc3)cccc2

InChI:

InChI=1/C23H24N2O3/c1-27-17-11-12-23(28-2)20(13-17)24-14-16(26)15-25-21-9-5-3-7-18(21)19-8-4-6-10-22(19)25/h3-13,16,24,26H,14-15H2,1-2H3/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.573 kcal/mol

Physical Properties
Molecular Weight: 376.456 g/mol	logS: -4.90449	SlogP: 4.5511	Reactive groups: 0

Topological Properties
Globularity: 0.128976	Sterimol/B1: 2.54068	Sterimol/B2: 5.62403	Sterimol/B3: 6.24592
Sterimol/B4: 8.76502	Sterimol/L: 17.3093

Surface and Volume Properties
Accessible surface: 669.745	Positive charged surface: 450.103	Negative charged surface: 209.487	Volume: 375.625
Hydrophobic surface: 612.551	Hydrophilic surface: 57.194

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.