MMsINC Database Search


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MMsINC code: MMs01879278

Type: Neutral
Formula: C₂₀H₁₉NO₂

SMILES:

O(C)c1cc2CCn3cc(cc3-c2cc1OC)-c1ccccc1

InChI:

InChI=1/C20H19NO2/c1-22-19-11-15-8-9-21-13-16(14-6-4-3-5-7-14)10-18(21)17(15)12-20(19)23-2/h3-7,10-13H,8-9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.8246 kcal/mol

Physical Properties
Molecular Weight: 305.377 g/mol	logS: -4.8283	SlogP: 4.66177	Reactive groups: 0

Topological Properties
Globularity: 0.0138717	Sterimol/B1: 2.7628	Sterimol/B2: 3.12054	Sterimol/B3: 4.71221
Sterimol/B4: 6.73732	Sterimol/L: 17.6928

Surface and Volume Properties
Accessible surface: 571.334	Positive charged surface: 392.004	Negative charged surface: 179.33	Volume: 308.25
Hydrophobic surface: 530.666	Hydrophilic surface: 40.668

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.