MMsINC Database Search


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MMsINC code: MMs02009553

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O=C1N(Cc2cc3cc(n(c3cc2)C)C)C(=O)c2c1cccc2

InChI:

InChI=1/C19H16N2O2/c1-12-9-14-10-13(7-8-17(14)20(12)2)11-21-18(22)15-5-3-4-6-16(15)19(21)23/h3-10H,11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.4095 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -4.19993	SlogP: 3.90852	Reactive groups: 0

Topological Properties
Globularity: 0.117676	Sterimol/B1: 2.5509	Sterimol/B2: 3.42168	Sterimol/B3: 5.00126
Sterimol/B4: 6.11853	Sterimol/L: 15.5413

Surface and Volume Properties
Accessible surface: 546.735	Positive charged surface: 322.975	Negative charged surface: 218.197	Volume: 295
Hydrophobic surface: 464.897	Hydrophilic surface: 81.838

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.