MMsINC Database Search


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MMsINC code: MMs00835526

Type: Neutral
Formula: C₂₀H₁₈N₂O

SMILES:

O=C(Nc1ccc(cc1)Cc1ccncc1)Cc1ccccc1

InChI:

InChI=1/C20H18N2O/c23-20(15-16-4-2-1-3-5-16)22-19-8-6-17(7-9-19)14-18-10-12-21-13-11-18/h1-13H,14-15H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.8155 kcal/mol

Physical Properties
Molecular Weight: 302.377 g/mol	logS: -4.27458	SlogP: 3.85354	Reactive groups: 0

Topological Properties
Globularity: 0.0586655	Sterimol/B1: 3.14623	Sterimol/B2: 3.26803	Sterimol/B3: 4.24677
Sterimol/B4: 5.75783	Sterimol/L: 17.6263

Surface and Volume Properties
Accessible surface: 587.204	Positive charged surface: 388.332	Negative charged surface: 198.872	Volume: 308.5
Hydrophobic surface: 533.406	Hydrophilic surface: 53.798

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.