MMsINC Database Search


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MMsINC code: MMs02339330

Type: Neutral
Formula: C₂₄H₃₅NO₂

SMILES:

O(CCC)c1ccccc1CC(NC(Cc1ccccc1OCCC)C)C

InChI:

InChI=1/C24H35NO2/c1-5-15-26-23-13-9-7-11-21(23)17-19(3)25-20(4)18-22-12-8-10-14-24(22)27-16-6-2/h7-14,19-20,25H,5-6,15-18H2,1-4H3/t19-,20+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.9876 kcal/mol

Physical Properties
Molecular Weight: 369.549 g/mol	logS: -4.82936	SlogP: 5.41594	Reactive groups: 0

Topological Properties
Globularity: 0.259132	Sterimol/B1: 2.27997	Sterimol/B2: 4.17696	Sterimol/B3: 6.98798
Sterimol/B4: 7.58518	Sterimol/L: 16.8036

Surface and Volume Properties
Accessible surface: 653.397	Positive charged surface: 462.89	Negative charged surface: 190.507	Volume: 408.75
Hydrophobic surface: 568.053	Hydrophilic surface: 85.344

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

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Ions/Tautomers related molecules

MMs02339331
NCID-ZINC01712607