MMsINC Database Search


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MMsINC code: MMs01382715

Type: Neutral
Formula: C₁₉H₁₅NO

SMILES:

O=C1N(c2c3c1cccc3ccc2)Cc1ccccc1C

InChI:

InChI=1/C19H15NO/c1-13-6-2-3-7-15(13)12-20-17-11-5-9-14-8-4-10-16(18(14)17)19(20)21/h2-11H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.8944 kcal/mol

Physical Properties
Molecular Weight: 273.335 g/mol	logS: -5.72308	SlogP: 4.57502	Reactive groups: 0

Topological Properties
Globularity: 0.121388	Sterimol/B1: 2.7205	Sterimol/B2: 3.29386	Sterimol/B3: 4.1908
Sterimol/B4: 7.27239	Sterimol/L: 12.986

Surface and Volume Properties
Accessible surface: 479.543	Positive charged surface: 263.642	Negative charged surface: 205.492	Volume: 273.625
Hydrophobic surface: 445.296	Hydrophilic surface: 34.247

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.