MMsINC Database Search


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MMsINC code: MMs02190505

Type: Neutral
Formula: C₁₉H₁₄N₂O₂

SMILES:

O=C1N(C(=O)c2c3c1ccc(N)c3ccc2)c1ccc(cc1)C

InChI:

InChI=1/C19H14N2O2/c1-11-5-7-12(8-6-11)21-18(22)14-4-2-3-13-16(20)10-9-15(17(13)14)19(21)23/h2-10H,20H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.871 kcal/mol

Physical Properties
Molecular Weight: 302.333 g/mol	logS: -5.83127	SlogP: 3.53102	Reactive groups: 0

Topological Properties
Globularity: 0.0445949	Sterimol/B1: 3.62295	Sterimol/B2: 3.62362	Sterimol/B3: 4.57011
Sterimol/B4: 5.18294	Sterimol/L: 15.9291

Surface and Volume Properties
Accessible surface: 520.972	Positive charged surface: 290.81	Negative charged surface: 220.149	Volume: 282.625
Hydrophobic surface: 409.456	Hydrophilic surface: 111.516

Pharmacophoric Properties
Hydrogen bond donors: 1	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.