MMsINC Database Search


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MMsINC code: MMs00686370

Type: Neutral
Formula: C₂₃H₃₀N₂O₃

SMILES:

O(C)c1ccccc1N1CCN(CC1)C(=O)COc1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C23H30N2O3/c1-23(2,3)18-9-11-19(12-10-18)28-17-22(26)25-15-13-24(14-16-25)20-7-5-6-8-21(20)27-4/h5-12H,13-17H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=187.174 kcal/mol

Physical Properties
Molecular Weight: 382.504 g/mol	logS: -5.44239	SlogP: 3.7203	Reactive groups: 0

Topological Properties
Globularity: 0.0561959	Sterimol/B1: 3.34773	Sterimol/B2: 3.59472	Sterimol/B3: 5.84199
Sterimol/B4: 6.18724	Sterimol/L: 20.15

Surface and Volume Properties
Accessible surface: 697.957	Positive charged surface: 496.93	Negative charged surface: 201.028	Volume: 392.125
Hydrophobic surface: 588.639	Hydrophilic surface: 109.318

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: 1

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Ions/Tautomers related molecules: no related molecules available.