MMsINC Database Search


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MMsINC code: MMs01985165

Type: Neutral
Formula: C₁₈H₁₄N₂O₂

SMILES:

O=C1N(Cc2cc3cc([nH]c3cc2)C)C(=O)c2c1cccc2

InChI:

InChI=1/C18H14N2O2/c1-11-8-13-9-12(6-7-16(13)19-11)10-20-17(21)14-4-2-3-5-15(14)18(20)22/h2-9,19H,10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.5918 kcal/mol

Physical Properties
Molecular Weight: 290.322 g/mol	logS: -4.30592	SlogP: 3.53892	Reactive groups: 0

Topological Properties
Globularity: 0.106837	Sterimol/B1: 2.66071	Sterimol/B2: 2.92945	Sterimol/B3: 4.85583
Sterimol/B4: 6.05133	Sterimol/L: 15.7383

Surface and Volume Properties
Accessible surface: 523.29	Positive charged surface: 293.19	Negative charged surface: 224.536	Volume: 278.125
Hydrophobic surface: 418.852	Hydrophilic surface: 104.438

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.