MMsINC Database Search


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MMsINC code: MMs02224714

Type: Neutral
Formula: C₂₄H₂₁NO

SMILES:

OC(Cc1nc2cc(ccc2cc1)C)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H21NO/c1-18-12-13-19-14-15-22(25-23(19)16-18)17-24(26,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-16,26H,17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.251 kcal/mol

Physical Properties
Molecular Weight: 339.438 g/mol	logS: -5.96855	SlogP: 5.33329	Reactive groups: 0

Topological Properties
Globularity: 0.0989939	Sterimol/B1: 3.68399	Sterimol/B2: 3.78277	Sterimol/B3: 4.14918
Sterimol/B4: 7.11067	Sterimol/L: 16.2423

Surface and Volume Properties
Accessible surface: 583.846	Positive charged surface: 341.02	Negative charged surface: 237.515	Volume: 349
Hydrophobic surface: 550.64	Hydrophilic surface: 33.206

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.