MMsINC Database Search


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MMsINC code: MMs00625654

Type: Neutral
Formula: C₂₃H₂₃NO₂

SMILES:

O(Cc1ccc(cc1)C(=O)N1CCCCC1)c1cc2c(cc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.2704 kcal/mol

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

Topological Properties
Globularity: 0.0318415	Sterimol/B1: 3.52135	Sterimol/B2: 3.53673	Sterimol/B3: 3.79298
Sterimol/B4: 5.19961	Sterimol/L: 20.1522

Surface and Volume Properties
Accessible surface: 638.559	Positive charged surface: 397.446	Negative charged surface: 230.365	Volume: 349.625
Hydrophobic surface: 597.326	Hydrophilic surface: 41.233

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.