MMsINC Database Search


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MMsINC code: MMs01181042

Type: Neutral
Formula: C₂₇H₂₃NO₃

SMILES:

o1cccc1CN(C(=O)c1cc2CCOc2cc1)Cc1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C27H23NO3/c29-27(24-12-13-26-23(17-24)14-16-31-26)28(19-25-7-4-15-30-25)18-20-8-10-22(11-9-20)21-5-2-1-3-6-21/h1-13,15,17H,14,16,18-19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=156.335 kcal/mol

Physical Properties
Molecular Weight: 409.485 g/mol	logS: -7.37302	SlogP: 6.25687	Reactive groups: 0

Topological Properties
Globularity: 0.0688768	Sterimol/B1: 3.01127	Sterimol/B2: 4.28997	Sterimol/B3: 4.93056
Sterimol/B4: 9.47208	Sterimol/L: 18.054

Surface and Volume Properties
Accessible surface: 690.917	Positive charged surface: 380.219	Negative charged surface: 300.28	Volume: 402.25
Hydrophobic surface: 636.542	Hydrophilic surface: 54.375

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.