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MMsINC code: MMs03688747

Type: Neutral
Formula: C₂₃H₂₉NO

SMILES:

O1CC(C1(c1ccccc1)c1ccccc1)C1CCN(CC1)C(C)C

InChI:

InChI=1/C23H29NO/c1-18(2)24-15-13-19(14-16-24)22-17-25-23(22,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,18-19,22H,13-17H2,1-2H3/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.094 kcal/mol

Physical Properties
Molecular Weight: 335.491 g/mol	logS: -4.67517	SlogP: 5.0085	Reactive groups: 0

Topological Properties
Globularity: 0.117881	Sterimol/B1: 2.54588	Sterimol/B2: 5.01742	Sterimol/B3: 5.28153
Sterimol/B4: 5.43113	Sterimol/L: 16.6344

Surface and Volume Properties
Accessible surface: 589.601	Positive charged surface: 374.709	Negative charged surface: 185.477	Volume: 356.375
Hydrophobic surface: 526.909	Hydrophilic surface: 62.692

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs03688748
PUBCHEM-ZINC06364668