MMsINC Database Search


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MMsINC code: MMs00737365

Type: Neutral
Formula: C₂₄H₂₇NO₂

SMILES:

O(C)c1ccc(cc1NCc1ccc(OCCCC)cc1)-c1ccccc1

InChI:

InChI=1/C24H27NO2/c1-3-4-16-27-22-13-10-19(11-14-22)18-25-23-17-21(12-15-24(23)26-2)20-8-6-5-7-9-20/h5-15,17,25H,3-4,16,18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.993 kcal/mol

Physical Properties
Molecular Weight: 361.485 g/mol	logS: -6.52058	SlogP: 6.4196	Reactive groups: 0

Topological Properties
Globularity: 0.028606	Sterimol/B1: 2.49752	Sterimol/B2: 5.11244	Sterimol/B3: 5.54243
Sterimol/B4: 7.2399	Sterimol/L: 22.1221

Surface and Volume Properties
Accessible surface: 710.213	Positive charged surface: 468.235	Negative charged surface: 230.979	Volume: 380.875
Hydrophobic surface: 661.217	Hydrophilic surface: 48.996

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.