MMsINC Database Search


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MMsINC code: MMs00747444

Type: Neutral
Formula: C₂₃H₂₃NO

SMILES:

O(CCCCn1c2c(c3c1cccc3)cccc2)c1ccccc1C

InChI:

InChI=1/C23H23NO/c1-18-10-2-7-15-23(18)25-17-9-8-16-24-21-13-5-3-11-19(21)20-12-4-6-14-22(20)24/h2-7,10-15H,8-9,16-17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0218 kcal/mol

Physical Properties
Molecular Weight: 329.443 g/mol	logS: -5.8242	SlogP: 6.22852	Reactive groups: 0

Topological Properties
Globularity: 0.0815362	Sterimol/B1: 1.969	Sterimol/B2: 5.95476	Sterimol/B3: 5.97843
Sterimol/B4: 6.81126	Sterimol/L: 17.3281

Surface and Volume Properties
Accessible surface: 631.271	Positive charged surface: 374.549	Negative charged surface: 246.312	Volume: 349.625
Hydrophobic surface: 630.494	Hydrophilic surface: 0.77699999999993

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.