MMsINC Database Search


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MMsINC code: MMs00912488

Type: Neutral
Formula: C₂₃H₂₃N₃O₂

SMILES:

O=C1N(C)C(=O)N(c2c1c(n(c2)-c1cc(cc(c1)C)C)-c1ccc(cc1)C)C

InChI:

InChI=1/C23H23N3O2/c1-14-6-8-17(9-7-14)21-20-19(24(4)23(28)25(5)22(20)27)13-26(21)18-11-15(2)10-16(3)12-18/h6-13H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.7395 kcal/mol

Physical Properties
Molecular Weight: 373.456 g/mol	logS: -5.70395	SlogP: 4.71136	Reactive groups: 0

Topological Properties
Globularity: 0.0984935	Sterimol/B1: 2.35821	Sterimol/B2: 3.16418	Sterimol/B3: 5.09067
Sterimol/B4: 11.2915	Sterimol/L: 14.754

Surface and Volume Properties
Accessible surface: 635.093	Positive charged surface: 435.711	Negative charged surface: 199.382	Volume: 372
Hydrophobic surface: 559.94	Hydrophilic surface: 75.153

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.