MMsINC Database Search


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MMsINC code: MMs02107220

Type: Neutral
Formula: C₂₃H₂₀N₂O

SMILES:

O=C(NCc1ccccc1)c1c2c(n(c1)Cc1ccccc1)cccc2

InChI:

InChI=1/C23H20N2O/c26-23(24-15-18-9-3-1-4-10-18)21-17-25(16-19-11-5-2-6-12-19)22-14-8-7-13-20(21)22/h1-14,17H,15-16H2,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.3158 kcal/mol

Physical Properties
Molecular Weight: 340.426 g/mol	logS: -5.25072	SlogP: 5.1524	Reactive groups: 0

Topological Properties
Globularity: 0.0761499	Sterimol/B1: 3.49961	Sterimol/B2: 3.96225	Sterimol/B3: 4.46098
Sterimol/B4: 7.89383	Sterimol/L: 16.0066

Surface and Volume Properties
Accessible surface: 637.107	Positive charged surface: 346.157	Negative charged surface: 284.411	Volume: 349.5
Hydrophobic surface: 570.865	Hydrophilic surface: 66.242

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.