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MMsINC code: MMs03065917

Type: Neutral
Formula: C₂₃H₃₀N₂O₂

SMILES:

O(CC)c1cc(ccc1OCC)-c1[nH]c2c(cc(cc2)C)c1CCCCN

InChI:

InChI=1/C23H30N2O2/c1-4-26-21-12-10-17(15-22(21)27-5-2)23-18(8-6-7-13-24)19-14-16(3)9-11-20(19)25-23/h9-12,14-15,25H,4-8,13,24H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.5069 kcal/mol

Physical Properties
Molecular Weight: 366.505 g/mol	logS: -5.42899	SlogP: 5.22209	Reactive groups: 0

Topological Properties
Globularity: 0.160482	Sterimol/B1: 2.59063	Sterimol/B2: 6.42134	Sterimol/B3: 6.61288
Sterimol/B4: 6.74468	Sterimol/L: 17.5847

Surface and Volume Properties
Accessible surface: 715.301	Positive charged surface: 520.596	Negative charged surface: 190.336	Volume: 386.5
Hydrophobic surface: 567.773	Hydrophilic surface: 147.528

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

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Ions/Tautomers related molecules

MMs03065918
PUBCHEM-ZINC03739639