MMsINC Database Search


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MMsINC code: MMs00747438

Type: Neutral
Formula: C₂₄H₂₅NO

SMILES:

O(CCCCn1c2c(c3c1cccc3)cccc2)c1ccc(cc1)CC

InChI:

InChI=1/C24H25NO/c1-2-19-13-15-20(16-14-19)26-18-8-7-17-25-23-11-5-3-9-21(23)22-10-4-6-12-24(22)25/h3-6,9-16H,2,7-8,17-18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.7497 kcal/mol

Physical Properties
Molecular Weight: 343.47 g/mol	logS: -6.65287	SlogP: 6.48247	Reactive groups: 0

Topological Properties
Globularity: 0.0617751	Sterimol/B1: 2.50282	Sterimol/B2: 4.91098	Sterimol/B3: 5.37175
Sterimol/B4: 6.97825	Sterimol/L: 19.0016

Surface and Volume Properties
Accessible surface: 667.73	Positive charged surface: 403.498	Negative charged surface: 252.309	Volume: 369.25
Hydrophobic surface: 638.636	Hydrophilic surface: 29.094

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.