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MMsINC code: MMs03676637

Type: Neutral
Formula: C₂₂H₂₄N₂O₃

SMILES:

O1c2cc(ccc2OC1)CN1CCN(CC1)C(=O)C1CC1c1ccccc1

InChI:

InChI=1/C22H24N2O3/c25-22(19-13-18(19)17-4-2-1-3-5-17)24-10-8-23(9-11-24)14-16-6-7-20-21(12-16)27-15-26-20/h1-7,12,18-19H,8-11,13-15H2/t18-,19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.06 kcal/mol

Physical Properties
Molecular Weight: 364.445 g/mol	logS: -3.23787	SlogP: 3.1296	Reactive groups: 0

Topological Properties
Globularity: 0.0613902	Sterimol/B1: 3.26353	Sterimol/B2: 3.48671	Sterimol/B3: 3.72636
Sterimol/B4: 6.11588	Sterimol/L: 19.2567

Surface and Volume Properties
Accessible surface: 635.401	Positive charged surface: 449.985	Negative charged surface: 185.415	Volume: 358.125
Hydrophobic surface: 546.384	Hydrophilic surface: 89.017

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs03676638
PUBCHEM-ZINC06340324