MMsINC Database Search


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MMsINC code: MMs00060425

Type: Neutral
Formula: C₁₉H₁₅NO

SMILES:

O=C(N1CCc2c1cccc2)c1c2c(ccc1)cccc2

InChI:

InChI=1/C19H15NO/c21-19(20-13-12-15-7-2-4-11-18(15)20)17-10-5-8-14-6-1-3-9-16(14)17/h1-11H,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.6815 kcal/mol

Physical Properties
Molecular Weight: 273.335 g/mol	logS: -5.31063	SlogP: 4.04267	Reactive groups: 0

Topological Properties
Globularity: 0.0532406	Sterimol/B1: 2.77872	Sterimol/B2: 3.16625	Sterimol/B3: 3.80899
Sterimol/B4: 6.65336	Sterimol/L: 14.8022

Surface and Volume Properties
Accessible surface: 501.9	Positive charged surface: 278.267	Negative charged surface: 213.189	Volume: 273.125
Hydrophobic surface: 481.149	Hydrophilic surface: 20.751

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.