MMsINC Database Search


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MMsINC code: MMs00984167

Type: Neutral
Formula: C₂₃H₂₁N₃O₂

SMILES:

O=C1N(Cc2ccc(cc2)C)C(=O)N(c2ncccc12)Cc1ccc(cc1)C

InChI:

InChI=1/C23H21N3O2/c1-16-5-9-18(10-6-16)14-25-21-20(4-3-13-24-21)22(27)26(23(25)28)15-19-11-7-17(2)8-12-19/h3-13H,14-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.0453 kcal/mol

Physical Properties
Molecular Weight: 371.44 g/mol	logS: -5.26268	SlogP: 5.01384	Reactive groups: 0

Topological Properties
Globularity: 0.0861544	Sterimol/B1: 2.89302	Sterimol/B2: 3.3196	Sterimol/B3: 4.82487
Sterimol/B4: 8.92588	Sterimol/L: 17.7021

Surface and Volume Properties
Accessible surface: 639.715	Positive charged surface: 400.324	Negative charged surface: 239.391	Volume: 364.25
Hydrophobic surface: 574.449	Hydrophilic surface: 65.266

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.