MMsINC Database Search


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MMsINC code: MMs00441563

Type: Neutral
Formula: C₂₄H₁₉NO

SMILES:

Oc1ccccc1-c1nc(cc(c1)-c1ccccc1)-c1ccc(cc1)C

InChI:

InChI=1/C24H19NO/c1-17-11-13-19(14-12-17)22-15-20(18-7-3-2-4-8-18)16-23(25-22)21-9-5-6-10-24(21)26/h2-16,26H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.485 kcal/mol

Physical Properties
Molecular Weight: 337.422 g/mol	logS: -7.45545	SlogP: 6.09662	Reactive groups: 0

Topological Properties
Globularity: 0.00409181	Sterimol/B1: 2.15939	Sterimol/B2: 2.51246	Sterimol/B3: 6.68398
Sterimol/B4: 8.15691	Sterimol/L: 15.4848

Surface and Volume Properties
Accessible surface: 607.396	Positive charged surface: 301.025	Negative charged surface: 284.847	Volume: 344.875
Hydrophobic surface: 561.906	Hydrophilic surface: 45.49

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.