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MMsINC code: MMs00794798

Type: Neutral
Formula: C₂₄H₃₂N₂O₃

SMILES:

O(CCCCN1CCN(CC1)Cc1ccccc1)c1ccc(cc1OC)C(=O)C

InChI:

InChI=1/C24H32N2O3/c1-20(27)22-10-11-23(24(18-22)28-2)29-17-7-6-12-25-13-15-26(16-14-25)19-21-8-4-3-5-9-21/h3-5,8-11,18H,6-7,12-17,19H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.348 kcal/mol

Physical Properties
Molecular Weight: 396.531 g/mol	logS: -3.91397	SlogP: 4.141	Reactive groups: 0

Topological Properties
Globularity: 0.0378616	Sterimol/B1: 2.21832	Sterimol/B2: 3.01689	Sterimol/B3: 5.01909
Sterimol/B4: 8.42126	Sterimol/L: 21.4222

Surface and Volume Properties
Accessible surface: 753.912	Positive charged surface: 556.274	Negative charged surface: 197.638	Volume: 410.75
Hydrophobic surface: 691.994	Hydrophilic surface: 61.918

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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

MMs00794799
CHEMBRIDGE-ZINC04832005