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MMsINC code: MMs02843427

Type: Neutral
Formula: C₂₃H₃₀N₂O₂

SMILES:

O(Cc1ccccc1)c1cc2c([nH]cc2CCN(CCCCO)CC)cc1

InChI:

InChI=1/C23H30N2O2/c1-2-25(13-6-7-15-26)14-12-20-17-24-23-11-10-21(16-22(20)23)27-18-19-8-4-3-5-9-19/h3-5,8-11,16-17,24,26H,2,6-7,12-15,18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.18 kcal/mol

Physical Properties
Molecular Weight: 366.505 g/mol	logS: -3.95419	SlogP: 4.65017	Reactive groups: 0

Topological Properties
Globularity: 0.060879	Sterimol/B1: 2.3635	Sterimol/B2: 3.62188	Sterimol/B3: 5.99004
Sterimol/B4: 8.74819	Sterimol/L: 19.9921

Surface and Volume Properties
Accessible surface: 710.857	Positive charged surface: 490.488	Negative charged surface: 216.888	Volume: 388.125
Hydrophobic surface: 579.71	Hydrophilic surface: 131.147

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: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs02843428
PUBCHEM-ZINC02001159