MMsINC Database Search


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MMsINC code: MMs01178725

Type: Neutral
Formula: C₂₃H₂₇NO₃

SMILES:

O1c2cc(ccc2OC1)CC(=O)N(Cc1ccccc1C)C1CCCCC1

InChI:

InChI=1/C23H27NO3/c1-17-7-5-6-8-19(17)15-24(20-9-3-2-4-10-20)23(25)14-18-11-12-21-22(13-18)27-16-26-21/h5-8,11-13,20H,2-4,9-10,14-16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.6796 kcal/mol

Physical Properties
Molecular Weight: 365.473 g/mol	logS: -5.15455	SlogP: 4.89409	Reactive groups: 0

Topological Properties
Globularity: 0.221211	Sterimol/B1: 2.52245	Sterimol/B2: 3.01329	Sterimol/B3: 6.40958
Sterimol/B4: 9.91406	Sterimol/L: 14.4217

Surface and Volume Properties
Accessible surface: 632.407	Positive charged surface: 440.45	Negative charged surface: 191.957	Volume: 372.375
Hydrophobic surface: 564.521	Hydrophilic surface: 67.886

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.