MMsINC Database Search


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MMsINC code: MMs00862889

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(C)c1cc(ccc1OC)-c1nc2c(n1CCOc1ccc(cc1)C)cccc2

InChI:

InChI=1/C24H24N2O3/c1-17-8-11-19(12-9-17)29-15-14-26-21-7-5-4-6-20(21)25-24(26)18-10-13-22(27-2)23(16-18)28-3/h4-13,16H,14-15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.841 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -6.80365	SlogP: 5.37432	Reactive groups: 0

Topological Properties
Globularity: 0.0753458	Sterimol/B1: 2.53555	Sterimol/B2: 5.23937	Sterimol/B3: 6.76249
Sterimol/B4: 9.10862	Sterimol/L: 17.7458

Surface and Volume Properties
Accessible surface: 695.081	Positive charged surface: 466.902	Negative charged surface: 228.179	Volume: 387.625
Hydrophobic surface: 651.093	Hydrophilic surface: 43.988

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.