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MMsINC code: MMs03021529

Type: Neutral
Formula: C₂₄H₃₅NO₂

SMILES:

O(CC(C(O)(c1ccccc1)c1ccccc1)CN(CC)CC)CC(C)C

InChI:

InChI=1/C24H35NO2/c1-5-25(6-2)17-23(19-27-18-20(3)4)24(26,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20,23,26H,5-6,17-19H2,1-4H3/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.144 kcal/mol

Physical Properties
Molecular Weight: 369.549 g/mol	logS: -4.42583	SlogP: 4.8646	Reactive groups: 0

Topological Properties
Globularity: 0.207414	Sterimol/B1: 2.08719	Sterimol/B2: 2.76933	Sterimol/B3: 6.74328
Sterimol/B4: 9.00776	Sterimol/L: 14.4397

Surface and Volume Properties
Accessible surface: 645.625	Positive charged surface: 435.287	Negative charged surface: 210.338	Volume: 405.375
Hydrophobic surface: 558.044	Hydrophilic surface: 87.581

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs03021530
PUBCHEM-ZINC03609694