MMsINC Database Search


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MMsINC code: MMs02760955

Type: Neutral
Formula: C₂₃H₁₉NO

SMILES:

O=C(NCc1c2c(ccc1)cccc2)Cc1c2c(ccc1)cccc2

InChI:

InChI=1/C23H19NO/c25-23(15-19-11-5-9-17-7-1-3-13-21(17)19)24-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-14H,15-16H2,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.154 kcal/mol

Physical Properties
Molecular Weight: 325.411 g/mol	logS: -7.11614	SlogP: 5.11827	Reactive groups: 0

Topological Properties
Globularity: 0.0330075	Sterimol/B1: 2.48159	Sterimol/B2: 2.80568	Sterimol/B3: 3.67972
Sterimol/B4: 7.17131	Sterimol/L: 16.3715

Surface and Volume Properties
Accessible surface: 591.599	Positive charged surface: 325.955	Negative charged surface: 249.107	Volume: 332.25
Hydrophobic surface: 550.308	Hydrophilic surface: 41.291

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.