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MMsINC code: MMs02827596

Type: Neutral
Formula: C₂₃H₃₂N₂O

SMILES:

O(C(c1ccccc1)c1ccccc1)CCN1CCCN(CC1)C(C)C

InChI:

InChI=1/C23H32N2O/c1-20(2)25-15-9-14-24(16-17-25)18-19-26-23(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,20,23H,9,14-19H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.031 kcal/mol

Physical Properties
Molecular Weight: 352.522 g/mol	logS: -4.06979	SlogP: 4.3042	Reactive groups: 0

Topological Properties
Globularity: 0.136609	Sterimol/B1: 3.18765	Sterimol/B2: 4.56027	Sterimol/B3: 4.65801
Sterimol/B4: 7.04113	Sterimol/L: 16.2302

Surface and Volume Properties
Accessible surface: 645.283	Positive charged surface: 460.255	Negative charged surface: 185.027	Volume: 382.375
Hydrophobic surface: 605.044	Hydrophilic surface: 40.239

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

MMs02827597
PUBCHEM-ZINC01854405