MMsINC Database Search


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MMsINC code: MMs01178881

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

O1c2cc(ccc2OC1)CC(=O)N(Cc1ccccc1C)c1ccccc1C

InChI:

InChI=1/C24H23NO3/c1-17-7-3-5-9-20(17)15-25(21-10-6-4-8-18(21)2)24(26)14-19-11-12-22-23(13-19)28-16-27-22/h3-13H,14-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.967 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -5.66774	SlogP: 5.07441	Reactive groups: 0

Topological Properties
Globularity: 0.119169	Sterimol/B1: 2.79985	Sterimol/B2: 5.44997	Sterimol/B3: 6.00317
Sterimol/B4: 6.18233	Sterimol/L: 16.4824

Surface and Volume Properties
Accessible surface: 612.055	Positive charged surface: 390.978	Negative charged surface: 221.077	Volume: 371.375
Hydrophobic surface: 531.827	Hydrophilic surface: 80.228

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.