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MMsINC code: MMs02817800

Type: Neutral
Formula: C₂₅H₃₀N₂O₂

SMILES:

O(C)c1c2CCc3c(n(c4c3cc(OC)cc4)CCN3CCCCC3)-c2ccc1

InChI:

InChI=1/C25H30N2O2/c1-28-18-9-12-23-22(17-18)21-11-10-19-20(7-6-8-24(19)29-2)25(21)27(23)16-15-26-13-4-3-5-14-26/h6-9,12,17H,3-5,10-11,13-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.0916 kcal/mol

Physical Properties
Molecular Weight: 390.527 g/mol	logS: -4.93567	SlogP: 5.17634	Reactive groups: 0

Topological Properties
Globularity: 0.0559873	Sterimol/B1: 2.53656	Sterimol/B2: 3.31152	Sterimol/B3: 3.41232
Sterimol/B4: 12.6883	Sterimol/L: 16.1504

Surface and Volume Properties
Accessible surface: 675.946	Positive charged surface: 528.928	Negative charged surface: 141.608	Volume: 400.5
Hydrophobic surface: 655.845	Hydrophilic surface: 20.101

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs02817801
PUBCHEM-ZINC01651455