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MMsINC code: MMs00817802

Type: Neutral
Formula: C₂₀H₂₆N₂O

SMILES:

O(C)c1cc(N2CCN(CC2)Cc2ccc(cc2)CC)ccc1

InChI:

InChI=1/C20H26N2O/c1-3-17-7-9-18(10-8-17)16-21-11-13-22(14-12-21)19-5-4-6-20(15-19)23-2/h4-10,15H,3,11-14,16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.224 kcal/mol

Physical Properties
Molecular Weight: 310.441 g/mol	logS: -4.16644	SlogP: 3.84617	Reactive groups: 0

Topological Properties
Globularity: 0.0537084	Sterimol/B1: 3.32863	Sterimol/B2: 3.58431	Sterimol/B3: 3.95125
Sterimol/B4: 6.38967	Sterimol/L: 18.8239

Surface and Volume Properties
Accessible surface: 602.45	Positive charged surface: 446.355	Negative charged surface: 156.095	Volume: 333
Hydrophobic surface: 551.765	Hydrophilic surface: 50.685

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs00817803
CHEMBRIDGE-ZINC04980388