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MMsINC code: MMs02845942

Type: Neutral
Formula: C₂₄H₂₇NO

SMILES:

OC(CCN(CCc1ccccc1)C)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C24H27NO/c1-25(18-16-20-8-4-2-5-9-20)19-17-24(26)23-14-12-22(13-15-23)21-10-6-3-7-11-21/h2-15,24,26H,16-19H2,1H3/t24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.7244 kcal/mol

Physical Properties
Molecular Weight: 345.486 g/mol	logS: -5.51131	SlogP: 5.04707	Reactive groups: 0

Topological Properties
Globularity: 0.0322175	Sterimol/B1: 2.29207	Sterimol/B2: 2.37934	Sterimol/B3: 5.14875
Sterimol/B4: 5.96189	Sterimol/L: 22.6784

Surface and Volume Properties
Accessible surface: 672.538	Positive charged surface: 404.531	Negative charged surface: 257.226	Volume: 375.875
Hydrophobic surface: 635.6	Hydrophilic surface: 36.938

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02845943
PUBCHEM-ZINC02005610