MMsINC Database Search


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MMsINC code: MMs00747246

Type: Neutral
Formula: C₂₃H₂₇NO₃

SMILES:

O(CCOCCOc1c2ncccc2ccc1)c1cc(ccc1C)C(C)C

InChI:

InChI=1/C23H27NO3/c1-17(2)20-10-9-18(3)22(16-20)27-15-13-25-12-14-26-21-8-4-6-19-7-5-11-24-23(19)21/h4-11,16-17H,12-15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.755 kcal/mol

Physical Properties
Molecular Weight: 365.473 g/mol	logS: -5.67599	SlogP: 5.14102	Reactive groups: 0

Topological Properties
Globularity: 0.109947	Sterimol/B1: 2.35626	Sterimol/B2: 2.45616	Sterimol/B3: 6.86572
Sterimol/B4: 8.78927	Sterimol/L: 17.6657

Surface and Volume Properties
Accessible surface: 722.002	Positive charged surface: 509.514	Negative charged surface: 206.326	Volume: 377.5
Hydrophobic surface: 654.932	Hydrophilic surface: 67.07

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.