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MMsINC code: MMs03085440

Type: Neutral
Formula: C₂₄H₃₀N₂O₃

SMILES:

O(C)c1ccccc1CN1CC2(CCCN(C2)C(=O)c2ccc(OC)cc2)CC1

InChI:

InChI=1/C24H30N2O3/c1-28-21-10-8-19(9-11-21)23(27)26-14-5-12-24(18-26)13-15-25(17-24)16-20-6-3-4-7-22(20)29-2/h3-4,6-11H,5,12-18H2,1-2H3/t24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.439 kcal/mol

Physical Properties
Molecular Weight: 394.515 g/mol	logS: -4.04545	SlogP: 4.0985	Reactive groups: 0

Topological Properties
Globularity: 0.172172	Sterimol/B1: 2.4977	Sterimol/B2: 3.50041	Sterimol/B3: 5.18719
Sterimol/B4: 11.8288	Sterimol/L: 14.4844

Surface and Volume Properties
Accessible surface: 679.062	Positive charged surface: 512.987	Negative charged surface: 166.076	Volume: 399.125
Hydrophobic surface: 627.904	Hydrophilic surface: 51.158

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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

MMs03085441
PUBCHEM-ZINC03955956