MMsINC Database Search


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MMsINC code: MMs00861323

Type: Neutral
Formula: C₂₃H₂₃NO₂

SMILES:

O(Cc1ccc(cc1)C(=O)N1CCCCC1)c1c2c(ccc1)cccc2

InChI:

InChI=1/C23H23NO2/c25-23(24-15-4-1-5-16-24)20-13-11-18(12-14-20)17-26-22-10-6-8-19-7-2-3-9-21(19)22/h2-3,6-14H,1,4-5,15-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.263 kcal/mol

Physical Properties
Molecular Weight: 345.442 g/mol	logS: -5.87533	SlogP: 5.3113	Reactive groups: 0

Topological Properties
Globularity: 0.0410191	Sterimol/B1: 2.42252	Sterimol/B2: 3.53413	Sterimol/B3: 3.9123
Sterimol/B4: 7.16524	Sterimol/L: 18.1239

Surface and Volume Properties
Accessible surface: 631.193	Positive charged surface: 396.492	Negative charged surface: 224.71	Volume: 348.375
Hydrophobic surface: 592.917	Hydrophilic surface: 38.276

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: 1

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Ions/Tautomers related molecules: no related molecules available.