MMsINC Database Search


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MMsINC code: MMs00691964

Type: Neutral
Formula: C₂₃H₁₅NO

SMILES:

O=C1N(c2c3c1cccc3ccc2)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C23H15NO/c25-23-20-10-4-8-18-9-5-11-21(22(18)20)24(23)19-14-12-17(13-15-19)16-6-2-1-3-7-16/h1-15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.799 kcal/mol

Physical Properties
Molecular Weight: 321.379 g/mol	logS: -7.7315	SlogP: 5.7987	Reactive groups: 0

Topological Properties
Globularity: 0.0429332	Sterimol/B1: 3.01797	Sterimol/B2: 3.20112	Sterimol/B3: 4.64728
Sterimol/B4: 4.86085	Sterimol/L: 17.9459

Surface and Volume Properties
Accessible surface: 569.551	Positive charged surface: 271.527	Negative charged surface: 276.676	Volume: 318.625
Hydrophobic surface: 530.07	Hydrophilic surface: 39.481

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.