MMsINC Database Search


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MMsINC code: MMs03466453

Type: Neutral
Formula: C₂₀H₂₃NO

SMILES:

O(C1c2c(CCc3c1cccc3)cccc2)C1CCN(C1)C

InChI:

InChI=1/C20H23NO/c1-21-13-12-17(14-21)22-20-18-8-4-2-6-15(18)10-11-16-7-3-5-9-19(16)20/h2-9,17,20H,10-14H2,1H3/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.161 kcal/mol

Physical Properties
Molecular Weight: 293.41 g/mol	logS: -4.36328	SlogP: 3.69074	Reactive groups: 0

Topological Properties
Globularity: 0.220931	Sterimol/B1: 2.48918	Sterimol/B2: 3.88905	Sterimol/B3: 5.02518
Sterimol/B4: 7.18641	Sterimol/L: 12.827

Surface and Volume Properties
Accessible surface: 517.889	Positive charged surface: 373.245	Negative charged surface: 144.643	Volume: 304.875
Hydrophobic surface: 507.68	Hydrophilic surface: 10.209

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03466454
PUBCHEM-ZINC05966673